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Substance Name: Methyl 4-fluorobenzoate
RN: 403-33-8
InChIKey: MSEBQGULDWDIRW-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-F-O2

Molecular Weight

  • 154.139
 
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Names and Synonyms

Synonym

  • EINECS 206-956-7

Systematic Name

  • Methyl 4-fluorobenzoate

Registry Numbers

CAS Registry Number

  • 403-33-8

System Generated Number

  • 0000403338

Structure Descriptors

InChI

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

InChIKey

MSEBQGULDWDIRW-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(F)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.28 (none)   EXP
Water Solubility 822 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.