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Substance Name: Benzeneacetic acid, 2-carboxy-alpha-((3,4-dichlorophenyl)methylene)-, (E)-
RN: 75227-04-2
InChIKey: KWVAVJJOQXONTO-KPKJPENVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H10-Cl2-O4

Molecular Weight

  • 337.157
 
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Names and Synonyms

Synonym

  • (E)-2-Carboxy-alpha-((3,4-dichlorophenyl)methylene)benzeneacetic acid

Systematic Name

  • Benzeneacetic acid, 2-carboxy-alpha-((3,4-dichlorophenyl)methylene)-, (E)-

Registry Numbers

CAS Registry Number

  • 75227-04-2

System Generated Number

  • 0075227042

Structure Descriptors

InChI

1S/C16H10Cl2O4/c17-13-6-5-9(8-14(13)18)7-12(16(21)22)10-3-1-2-4-11(10)15(19)20/h1-8H,(H,19,20)(H,21,22)/b12-7+

InChIKey

KWVAVJJOQXONTO-KPKJPENVSA-N

Smiles

c1ccc(c(c1)/C(=C\c2ccc(c(c2)Cl)Cl)/C(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 316mg/kg (316mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 17, Pg. 496, 1979.