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Substance Name: Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-
RN: 75227-06-4
InChIKey: WOVKXFUVOGRDSY-XFXZXTDPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H10-Cl-N-O2

Molecular Weight

  • 283.713
 
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Names and Synonyms

Synonyms

  • (E)-2-(2-(2-Chlorophenyl)-1-cyanoethenyl)benzoic acid
  • 0-09-00-00946 (Beilstein Handbook Reference)
  • BRN 3364543

Systematic Name

  • Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 75227-06-4

System Generated Number

  • 0075227064

Structure Descriptors

InChI

1S/C16H10ClNO2/c17-15-8-4-1-5-11(15)9-12(10-18)13-6-2-3-7-14(13)16(19)20/h1-9H,(H,19,20)/b12-9-

InChIKey

WOVKXFUVOGRDSY-XFXZXTDPSA-N

Smiles

c1(\C(=C/c2c(cccc2)Cl)C#N)c(cccc1)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 825mg/kg (825mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 17, Pg. 496, 1979.