ChemSpider 2D Image | Methyl 2-chloro-3-fluoro-5-nitrobenzoate | C8H5ClFNO4

Methyl 2-chloro-3-fluoro-5-nitrobenzoate

  • Molecular FormulaC8H5ClFNO4
  • Average mass233.581 Da
  • Monoisotopic mass232.989120 Da
  • ChemSpider ID37391955

More details:

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

1256260-39-5 [RN]
2-Chloro-3-fluoro-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-3-fluoro-5-nitro-, methyl ester [ACD/Index Name]
Methyl 2-chloro-3-fluoro-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-2-chlor-3-fluor-5-nitrobenzoat [German] [ACD/IUPAC Name]
MFCD24111347

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

Density: 1.5±0.1 g/cm3
Boiling Point: 330.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 153.8±27.9 °C
Index of Refraction: 1.550
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.03
ACD/KOC (pH 5.5): 531.16
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.03
ACD/KOC (pH 7.4): 531.16
Polar Surface Area: 72 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 155.3±3.0 cm3

Click to predict properties on the Chemicalize site


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