ChemSpider 2D Image | Isopropyl 5-chloro-4-methyl-2-nitrobenzoate | C11H12ClNO4

Isopropyl 5-chloro-4-methyl-2-nitrobenzoate

  • Molecular FormulaC11H12ClNO4
  • Average mass257.670 Da
  • Monoisotopic mass257.045471 Da
  • ChemSpider ID30661607

More details:

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

5-Chloro-4-méthyl-2-nitrobenzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-chloro-4-methyl-2-nitro-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 5-chloro-4-methyl-2-nitrobenzoate [ACD/IUPAC Name]
Isopropyl-5-chlor-4-methyl-2-nitrobenzoat [German] [ACD/IUPAC Name]
1204518-43-3 [RN]
5 - chloro-4 - Methyl-2- nitro - benzoic acid isopropyl ester
5 - CHLORO-4 - METHYL-2- NITRO - BENZOIC ACIDISOPROPYL ESTER
isopropyl5-chloro-4-methyl-2-nitrobenzoate
MFCD27976845 [MDL number]
Propan-2-yl 5-chloro-4-methyl-2-nitrobenzoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 351.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.6±3.0 kJ/mol
    Flash Point: 166.1±26.5 °C
    Index of Refraction: 1.545
    Molar Refractivity: 63.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.71
    ACD/LogD (pH 5.5): 3.81
    ACD/BCF (pH 5.5): 466.30
    ACD/KOC (pH 5.5): 2830.31
    ACD/LogD (pH 7.4): 3.81
    ACD/BCF (pH 7.4): 466.30
    ACD/KOC (pH 7.4): 2830.31
    Polar Surface Area: 72 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 44.3±3.0 dyne/cm
    Molar Volume: 200.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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