ChemSpider 2D Image | Methyl 3-chloro-2-nitrobenzoate | C8H6ClNO4

Methyl 3-chloro-2-nitrobenzoate

  • Molecular FormulaC8H6ClNO4
  • Average mass215.590 Da
  • Monoisotopic mass214.998535 Da
  • ChemSpider ID26541745

More details:

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

3-Chloro-2-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
42087-81-0 [RN]
Benzoic acid, 3-chloro-2-nitro-, methyl ester [ACD/Index Name]
Methyl 3-chloro-2-nitrobenzoate [ACD/IUPAC Name]
Methyl-3-chlor-2-nitrobenzoat [German] [ACD/IUPAC Name]
[42087-81-0] [RN]
3-Chloro-2-nitro-benzoic acid methyl ester
3-Chloro-2-nitro-benzoicacidmethylester
BS-17057
CA-5067
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 308.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 140.6±22.3 °C
Index of Refraction: 1.568
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: 2.10
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.89
ACD/KOC (pH 5.5): 469.37
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.89
ACD/KOC (pH 7.4): 469.37
Polar Surface Area: 72 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 151.1±3.0 cm3

Click to predict properties on the Chemicalize site


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