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Substance Name: o-Toluic acid, alpha-(p-fluorobenzoyl)-
RN: 54955-29-2
InChIKey: BDNMWBHSKATDFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H11-F-O3

Molecular Weight

  • 258.247
 
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Names and Synonyms

Synonyms

  • Acide (fluoro-4' benzoyl) alpha-orthotoluique
  • Acide (fluoro-4' benzoyl) alpha-orthotoluique [French]
  • alpha-(p-Fluorobenzoyl)-o-toluic acid
  • Benzoic acid, 2-(2-(4-fluorophenyl)-2-oxoethyl)-
  • BRN 2739092

Systematic Name

  • o-Toluic acid, alpha-(p-fluorobenzoyl)-

Registry Numbers

CAS Registry Number

  • 54955-29-2

System Generated Number

  • 0054955292

Structure Descriptors

InChI

1S/C15H11FO3/c16-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)15(18)19/h1-8H,9H2,(H,18,19)

InChIKey

BDNMWBHSKATDFB-UHFFFAOYSA-N

Smiles

C(c1c(CC(c2ccc(cc2)F)=O)cccc1)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 397, 1974.