Structure & Deep Data of Propoxur (C11H15NO3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The propoxur molecule contains a total of 30 bond(s). There are 15 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 (thio-) carbamate(s) (aromatic), and 1 ether(s) (aromatic). Images of the chemical structure of propoxur are given below:

The 2D chemical structure image of propoxur is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of propoxur are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of propoxur is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of propoxur. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Propoxur Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of propoxur

  The SMILES string of propoxur is CNC(=O)Oc1ccccc1OC(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the propoxur.

• Structure Data File (SDF/MOL File) of propoxur

  The structure data file (SDF/MOL File) of propoxur is available for download in the SDF page of propoxur, which provides the information about the atoms, bonds, connectivity and coordinates of propoxur. The propoxur structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of propoxur

  The molecular formula of propoxur is available in chemical formula page of propoxur, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of propoxur

  The molecular weight of propoxur is available in molecular weight page of propoxur, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of propoxur

  The propoxur compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of propoxur including the various registry numbers, if available:

  • AR-1L2347
  • AR-1C9801
  • Carbamic acid, methyl-, 2-(1-methylethoxy)phenyl ester
  • Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)
  • J-003071
  • I01-4383
  • C-10727
  • 2-(1-Methylethoxy)phenol 1-(N-Methylcarbamate)
  • D08442
  • Propoxur, PESTANAL(R), analytical standard

  • SBI-0052551.P002
  • 2-(1-Methylethoxy)phenyl methyl carbamate
  • S257
  • (2-isopropoxyphenyl) N-methylcarbamate
  • CCG-39115
  • BDBM50064617
  • N-Methyl-2-isopropoxyphenylcarbamate
  • HY-B0916
  • Pharmakon1600-00330066
  • HMS3264G19

  • BFH029TL73
  • Isopropoxyphenyl methylcarbamate
  • BIDD:ER0307
  • SPECTRUM330066
  • 2-(propan-2-yloxy)phenyl methyl(14c)carbamate
  • Bolfo (TN)
  • Baygon®
  • Baygon G
  • Boygon
  • Propogon

  • Pillargon
  • Propoxur [INN:BAN]
  • CAS-114-26-1
  • Propoxur (baygon)
  • 2-[(1-methylethyl)oxy]phenyl methylcarbamate
  • 2-(1-Methylethoxy)phenyl N-methylcarbamate
  • (2-propan-2-yloxyphenyl) N-methylcarbamate
  • 2-(propan-2-yloxy)phenyl methylcarbamate
  • 2-(1-methylethoxy)phenyl methylcarbamate
  • Propoxur (BAN)

  • 2-Isopropoxyphenyl-N-methylcarbamat [German]
  • OMS 33
  • EPA Pesticide Chemical Code 047802
  • Carbamic acid, methyl-, o-isopropoxyphenyl ester
  • 2-Isopropoxyphenyl-N-methylcarbamat
  • o-Isopropoxyphenyl methylcarbamate
  • 2-(1-Methylethoxy)phenol methylcarbamate
  • OMS-33
  • Phenol, o-isopropoxy-, methylcarbamate
  • Propoxur [BAN]

  • BAY 39007
  • o-Isopropoxyphenyl N-methylcarbamate
  • BAY 5122
  • O-(2-Isopropoxyphenyl) N-methylcarbamate
  • ENT 25,671
  • Caswell No. 508
  • Bay 9010
  • Propoksuru [Polish]
  • Phenol, 2-(1-methylethoxy)-, methylcarbamate
  • PHC (carbamate)

  • PHC 7
  • Unden 50PM
  • Chemagro 9010
  • Propoksuru
  • Bayer 39007
  • Bayer B 5122
  • Unden (Pesticide)
  • Tugon fliegenkugel
  • o-Impc
  • IPMC

  • Boruho 50
  • Bifex
  • Rhoden
  • Propyon
  • Isocarb
  • Arprocarb
  • 2-Isopropoxyphenyl N-methylcarbamate
  • Invisi-Gard
  • Dalf dust
  • Brygou

  • Boruho
  • Bolfo
  • Suncide
  • Propotox
  • Mrowkozol
  • Blattosep
  • Blattanex
  • Propoxylor
  • 2-Isopropoxyphenyl methylcarbamate
  • Propoxure

  • 114-26-1
  • Sendran
  • Aprocarb
  • Baygon
  • propoxur

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Propoxur Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of propoxur?
C11H15NO3
How many atoms and what are the elements included the propoxur molecule?
30 atom(s) - 15 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the propoxur structure?
30 bond(s) - 15 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 (thio-) carbamate(s) (aromatic), and 1 ether(s) (aromatic)
What’s the propoxur’s molecular weight?
209.2417 g/mol
What’s the SMILES code of propoxur?
CNC(=O)Oc1ccccc1OC(C)C
What’s the InChI string of propoxur?
InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
What’s the InChIKey code of propoxur?
ISRUGXGCCGIOQO-UHFFFAOYSA-N

872 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).