ChemSpider 2D Image | Methyl 3-bromo-2-chloro-5-nitrobenzoate | C8H5BrClNO4

Methyl 3-bromo-2-chloro-5-nitrobenzoate

  • Molecular FormulaC8H5BrClNO4
  • Average mass294.487 Da
  • Monoisotopic mass292.909027 Da
  • ChemSpider ID37371136

More details:

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

3-Bromo-2-chloro-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-2-chloro-5-nitro-, methyl ester [ACD/Index Name]
Methyl 3-bromo-2-chloro-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-3-brom-2-chlor-5-nitrobenzoat [German] [ACD/IUPAC Name]
1507488-40-5 [RN]
MFCD24107072

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

Density: 1.8±0.1 g/cm3
Boiling Point: 360.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 171.8±26.5 °C
Index of Refraction: 1.599
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 132.78
ACD/KOC (pH 5.5): 1151.70
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.78
ACD/KOC (pH 7.4): 1151.70
Polar Surface Area: 72 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 167.3±3.0 cm3

Click to predict properties on the Chemicalize site


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