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Substance Name: Benzoic acid, fluoroacetylmethyl ester
RN: 62522-65-0
InChIKey: MEIIQQDRKMJWQT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-F-O3

Molecular Weight

  • 196.176
 
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Names and Synonyms

Synonyms

  • 1-Benzoyloxy-3-fluoropropan-2-one
  • BRN 2265037
  • Fluorohydroxyacetone benzoate

Systematic Name

  • Benzoic acid, fluoroacetylmethyl ester

Registry Numbers

CAS Registry Number

  • 62522-65-0

System Generated Number

  • 0062522650

Structure Descriptors

InChI

1S/C10H9FO3/c11-6-9(12)7-14-10(13)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

MEIIQQDRKMJWQT-UHFFFAOYSA-N

Smiles

c1(C(OCC(CF)=O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 36mg/kg (36mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 644, 1977.