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Substance Name: Benzoic acid, bromoacetylmethyl ester
RN: 6656-59-3
InChIKey: NAPYNMHLUBOHQI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-Br-O3

Molecular Weight

  • 257.082
 
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Names and Synonyms

Synonyms

  • 1-Benzoyloxy-3-bromopropan-2-one
  • BRN 1960452
  • Bromohydroxyacetone benzoate

Systematic Name

  • Benzoic acid, bromoacetylmethyl ester

Registry Numbers

CAS Registry Number

  • 6656-59-3

System Generated Number

  • 0006656593

Structure Descriptors

InChI

1S/C10H9BrO3/c11-6-9(12)7-14-10(13)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

NAPYNMHLUBOHQI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 644, 1977.