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Substance Name: Hydrocinnamic acid, alpha-fluoro-
RN: 457-45-4
InChIKey: SFJKLGCBWSLDGQ-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-F-O2

Molecular Weight

  • 168.166
 
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Names and Synonyms

Synonyms

  • 4-09-00-01766 (Beilstein Handbook Reference)
  • alpha-Fluorohydrocinnamic acid
  • BRN 2362893
  • Hydrocinnamic acid, alpha-fluoro-
  • NSC 84357

Systematic Names

  • Benzenepropanoic acid, alpha-fluoro- (9CI)
  • Hydrocinnamic acid, alpha-fluoro-

Registry Numbers

CAS Registry Number

  • 457-45-4

System Generated Number

  • 0000457454

Structure Descriptors

InChI

1S/C9H9FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)

InChIKey

SFJKLGCBWSLDGQ-UHFFFAOYSA-N

Smiles

c1(C[C@@H](C(O)=O)F)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02946,