ChemSpider 2D Image | Methyl 3-amino-5-bromo-2-methylbenzoate | C9H10BrNO2

Methyl 3-amino-5-bromo-2-methylbenzoate

  • Molecular FormulaC9H10BrNO2
  • Average mass244.085 Da
  • Monoisotopic mass242.989487 Da
  • ChemSpider ID26403928

More details:

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

1000342-11-9 [RN]
3-Amino-5-bromo-2-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-5-bromo-2-methyl-, methyl ester [ACD/Index Name]
Methyl 3-amino-5-bromo-2-methylbenzoate [ACD/IUPAC Name]
Methyl-3-amino-5-brom-2-methylbenzoat [German] [ACD/IUPAC Name]
ZR CE F1 EVO1 [WLN]
[1000342-11-9] [RN]
106429-52-1 [RN]
220514-28-3 [RN]
3-Amino-2-methyl-5-bromo benzoic acid methyl ester
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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: 336.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.9±3.0 kJ/mol
    Flash Point: 157.0±26.5 °C
    Index of Refraction: 1.591
    Molar Refractivity: 54.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.55
    ACD/LogD (pH 5.5): 2.58
    ACD/BCF (pH 5.5): 53.80
    ACD/KOC (pH 5.5): 603.17
    ACD/LogD (pH 7.4): 2.58
    ACD/BCF (pH 7.4): 53.83
    ACD/KOC (pH 7.4): 603.49
    Polar Surface Area: 52 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 47.8±3.0 dyne/cm
    Molar Volume: 162.1±3.0 cm3

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