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Substance Name: Benzeneacetic acid, 3-fluoro-
RN: 331-25-9
InChIKey: YEAUYVGUXSZCFI-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-F-O2

Molecular Weight

  • 154.139
 
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Names and Synonyms

Synonyms

  • (m-Fluorophenyl)acetic acid
  • 3-Fluorophenylacetic acid
  • Acetic acid, (m-fluorophenyl)-
  • EINECS 206-360-7
  • NSC 88344

Systematic Names

  • 3-Fluorophenylacetic acid
  • Benzeneacetic acid, 3-fluoro-

Registry Numbers

CAS Registry Number

  • 331-25-9

System Generated Number

  • 0000331259

Structure Descriptors

InChI

1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

YEAUYVGUXSZCFI-UHFFFAOYSA-N

Smiles

O=C(O)Cc1cccc(F)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
pKa Dissociation Constant 4.13 (none) 25 EXP
log P (octanol-water) 1.65 (none)   EXP
Water Solubility 7040 mg/L 25 EST
Vapor Pressure 6.22E-03 mm Hg 25 EST
Henry's Law Constant 5.16E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.27E-12 cm3/molecule-sec 25 EST

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