ChemSpider 2D Image | Methyl 4-bromo-5-chloro-2-nitrobenzoate | C8H5BrClNO4

Methyl 4-bromo-5-chloro-2-nitrobenzoate

  • Molecular FormulaC8H5BrClNO4
  • Average mass294.487 Da
  • Monoisotopic mass292.909027 Da
  • ChemSpider ID28474620

More details:

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

1416374-90-7 [RN]
4-Bromo-5-chloro-2-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-5-chloro-2-nitro-, methyl ester [ACD/Index Name]
Methyl 4-bromo-5-chloro-2-nitrobenzoate [ACD/IUPAC Name]
Methyl-4-brom-5-chlor-2-nitrobenzoat [German] [ACD/IUPAC Name]
[1416374-90-7] [RN]
2-nitro-4-bromo-5-chlorobenzoic acid methyl ester
4-?bromo-?5-?chloro-?2-?nitro-Benzoic acid?, methyl ester
methyl 2-Nitro-4-bromo-5-chlorobenzoate
methyl-2-Nitro-4-bromo-5-chlorobenzoate
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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: 1.8±0.1 g/cm3
    Boiling Point: 367.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.5±3.0 kJ/mol
    Flash Point: 176.3±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: 2.83
    ACD/LogD (pH 5.5): 3.15
    ACD/BCF (pH 5.5): 146.74
    ACD/KOC (pH 5.5): 1237.16
    ACD/LogD (pH 7.4): 3.15
    ACD/BCF (pH 7.4): 146.74
    ACD/KOC (pH 7.4): 1237.16
    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

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