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Substance Name: Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester
RN: 62522-68-3
InChIKey: AJVICMKCQIYYBC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H7-Cl-N2-O7

Molecular Weight

  • 302.625
 
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Names and Synonyms

Synonyms

  • 3,5-Dinitrobenzoic acid chloroacetylmethyl ester
  • BRN 2303473

Systematic Name

  • Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester

Registry Numbers

CAS Registry Number

  • 62522-68-3

System Generated Number

  • 0062522683

Structure Descriptors

InChI

1S/C10H7ClN2O7/c11-4-9(14)5-20-10(15)6-1-7(12(16)17)3-8(2-6)13(18)19/h1-3H,4-5H2

InChIKey

AJVICMKCQIYYBC-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(OCC(CCl)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 644, 1977.