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Substance Name: 3-Fluorobenzoic acid
RN: 455-38-9
InChIKey: MXNBDFWNYRNIBH-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-F-O2

Molecular Weight

  • 140.113
 
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Names and Synonyms

Name of Substance

  • 3-Fluorobenzoic acid

Synonyms

  • 3-Fluorobenzoic acid
  • EINECS 207-248-0
  • m-Fluorobenzoic acid
  • NSC 10320

Systematic Names

  • 3-Fluorobenzoic acid
  • Benzoic acid, 3-fluoro-
  • Benzoic acid, m-fluoro- (8CI)

Registry Numbers

CAS Registry Number

  • 455-38-9

System Generated Number

  • 0000455389

Structure Descriptors

InChI

1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

MXNBDFWNYRNIBH-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)F)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 124 deg C   EXP
pKa Dissociation Constant 3.86 (none) 25 EXP
log P (octanol-water) 2.15 (none)   EXP
Water Solubility 1500 mg/L 25 EXP
Vapor Pressure 0.059 mm Hg 25 EST
Henry's Law Constant 1.27E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-12 cm3/molecule-sec 25 EST

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