ChemSpider 2D Image | tert-Butyl 4-bromo-2-nitrobenzoate | C11H12BrNO4

tert-Butyl 4-bromo-2-nitrobenzoate

  • Molecular FormulaC11H12BrNO4
  • Average mass302.121 Da
  • Monoisotopic mass300.994965 Da
  • ChemSpider ID21472797

More details:

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

2-Methyl-2-propanyl 4-bromo-2-nitrobenzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-brom-2-nitrobenzoat [German] [ACD/IUPAC Name]
4-Bromo-2-nitrobenzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
890315-72-7 [RN]
Benzoic acid, 4-bromo-2-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 4-bromo-2-nitrobenzoate
[890315-72-7] [RN]
'890315-72-7 [EINECS]
ACMC-209qyi
AGN-PC-0570A9
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 353.5±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±3.0 kJ/mol
    Flash Point: 167.6±22.3 °C
    Index of Refraction: 1.559
    Molar Refractivity: 66.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.44
    ACD/LogD (pH 5.5): 3.62
    ACD/BCF (pH 5.5): 332.53
    ACD/KOC (pH 5.5): 2221.93
    ACD/LogD (pH 7.4): 3.62
    ACD/BCF (pH 7.4): 332.53
    ACD/KOC (pH 7.4): 2221.93
    Polar Surface Area: 72 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 45.6±3.0 dyne/cm
    Molar Volume: 204.9±3.0 cm3

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