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Substance Name: Benzoic acid, 2-(1-cyano-2-(3,4-dichlorophenyl)ethenyl)-, (E)-
RN: 75227-08-6
InChIKey: HTDNSBXHAJCHHL-XFFZJAGNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H9-Cl2-N-O2

Molecular Weight

  • 318.158
 
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Names and Synonyms

Synonyms

  • (E)-2-(1-Cyano-2-(3,4-dichlorophenyl)ethenyl)benzoic acid
  • BRN 2293125

Systematic Name

  • Benzoic acid, 2-(1-cyano-2-(3,4-dichlorophenyl)ethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 75227-08-6

System Generated Number

  • 0075227086

Structure Descriptors

InChI

1S/C16H9Cl2NO2/c17-14-6-5-10(8-15(14)18)7-11(9-19)12-3-1-2-4-13(12)16(20)21/h1-8H,(H,20,21)/b11-7-

InChIKey

HTDNSBXHAJCHHL-XFFZJAGNSA-N

Smiles

c1(\C(=C/c2cc(c(Cl)cc2)Cl)C#N)c(cccc1)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 682mg/kg (682mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 17, Pg. 496, 1979.