ChemSpider 2D Image | Ethyl 2-chloro-6-nitrobenzoate | C9H8ClNO4

Ethyl 2-chloro-6-nitrobenzoate

  • Molecular FormulaC9H8ClNO4
  • Average mass229.617 Da
  • Monoisotopic mass229.014191 Da
  • ChemSpider ID21112716

More details:

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

2-Chloro-6-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
2-Chloro-6-nitrobenzoic acid ethyl ester
Benzoic acid, 2-chloro-6-nitro-, ethyl ester [ACD/Index Name]
Ethyl 2-chloro-6-nitrobenzoate [ACD/IUPAC Name]
Ethyl-2-chlor-6-nitrobenzoat [German] [ACD/IUPAC Name]
172217-16-2 [RN]
2-chloro-6-nitro-benzoic acid ethyl ester
2-CHLORO-6-NITROBENZOICACIDETHYLESTER
BENZOIC ACID,2-CHLORO-6-NITRO-, ETHYL ESTER
MFCD06204640 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 306.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.7±3.0 kJ/mol
    Flash Point: 139.1±22.3 °C
    Index of Refraction: 1.559
    Molar Refractivity: 54.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 2.66
    ACD/BCF (pH 5.5): 62.18
    ACD/KOC (pH 5.5): 669.11
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 62.18
    ACD/KOC (pH 7.4): 669.11
    Polar Surface Area: 72 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 167.6±3.0 cm3

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