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Substance Name: Benzoic acid, 2-fluoro-, methyl ester
RN: 394-35-4
InChIKey: QAFJIJWLEBLXHH-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-F-O2

Molecular Weight

  • 154.139
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 2-fluoro-, methyl ester
  • Benzoic acid, o-fluoro-, methyl ester
  • EINECS 206-894-0
  • Methyl 2-fluorobenzoate
  • Methyl o-fluorobenzoate
  • NSC 96624
  • o-Fluorobenzoic acid, methyl ester

Systematic Names

  • Benzoic acid, 2-fluoro-, methyl ester
  • Methyl 2-fluorobenzoate

Registry Numbers

CAS Registry Number

  • 394-35-4

System Generated Number

  • 0000394354

Structure Descriptors

InChI

1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3

InChIKey

QAFJIJWLEBLXHH-UHFFFAOYSA-N

Smiles

O=C(OC)c1c(F)cccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.82 (none)   EXP
Water Solubility 2030 mg/L 25 EST
Vapor Pressure 0.556 mm Hg 25 EST
Henry's Law Constant 4.05E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.00E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.