ChemSpider 2D Image | 2-Fluoro-5-(methoxycarbonyl)benzoic acid | C9H7FO4

2-Fluoro-5-(methoxycarbonyl)benzoic acid

  • Molecular FormulaC9H7FO4
  • Average mass198.148 Da
  • Monoisotopic mass198.032837 Da
  • ChemSpider ID37554236

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Benzenedicarboxylic acid, 4-fluoro-, 1-methyl ester [ACD/Index Name]
2-Fluor-5-(methoxycarbonyl)benzoesäure [German] [ACD/IUPAC Name]
2-Fluoro-5-(methoxycarbonyl)benzoic acid [ACD/IUPAC Name]
Acide 2-fluoro-5-(méthoxycarbonyl)benzoïque [French] [ACD/IUPAC Name]
387882-89-5 [RN]
MFCD02112907

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 334.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 156.3±23.7 °C
Index of Refraction: 1.536
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 144.1±3.0 cm3

Click to predict properties on the Chemicalize site


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