chempirical

Genite

C12H8Cl2O3SCAS 97-16-5303.15 g/mol

Open in Covalent MOL file
OSOOClCl
Aryl halideSulfonate ester

Properties

Molecular formula
C12H8Cl2O3S
Molar mass
303.15 g/mol
Exact mass
301.9571 Da
Melting point
45–47 °C
logP
3.76Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
97-16-5
SMILES
O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIKey
OZFAFGSSMRRTDW-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H

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Names and synonyms

13 names · show all
  • Genite (insecticide)
  • Genitol 923
  • NSC 27323
  • NSC 38761
  • Genit
  • Phenol, 2,4-dichloro-, 1-benzenesulfonate
  • Phenol, 2,4-dichloro-, benzenesulfonate
  • Benzenesulfonic acid, 2,4-dichlorophenyl ester
  • EM 923
  • 2,4-Dichlorophenyl benzenesulfonate
  • 2,4-Dichlorophenyl benzenesulphonate
  • Genite 923
  • Genite EM 923

Work with Genite

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(2,4-Dichlorophenoxy)aniline26306-64-944 % similar 4-Chlorophenyl phenyl sulfone80-00-242 % similar Triclosan3380-34-540 % similar 2-(2,4-Dichlorophenoxy)ethanol120-67-240 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-740 % similar Methyl benzenesulfonate80-18-239 % similar 2,4-Dichlorophenoxyacetic acid94-75-739 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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