ChemSpider 2D Image | methyl 2-amino-4-(3-bromophenyl)thiazole-5-carboxylate | C11H9BrN2O2S

methyl 2-amino-4-(3-bromophenyl)thiazole-5-carboxylate

  • Molecular FormulaC11H9BrN2O2S
  • Average mass313.170 Da
  • Monoisotopic mass311.956818 Da
  • ChemSpider ID26460922

More details:

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

1065074-63-6 [RN]
2-Amino-4-(3-bromophényl)-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-amino-4-(3-bromophenyl)-, methyl ester [ACD/Index Name]
Methyl 2-amino-4-(3-bromophenyl)-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
methyl 2-amino-4-(3-bromophenyl)thiazole-5-carboxylate
Methyl-2-amino-4-(3-bromphenyl)-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
[1065074-63-6] [RN]
5-bromo-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
95%
HC-6986
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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: 1.6±0.1 g/cm3
    Boiling Point: 473.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.7±3.0 kJ/mol
    Flash Point: 240.4±25.9 °C
    Index of Refraction: 1.654
    Molar Refractivity: 71.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 2.97
    ACD/BCF (pH 5.5): 106.18
    ACD/KOC (pH 5.5): 981.30
    ACD/LogD (pH 7.4): 2.97
    ACD/BCF (pH 7.4): 106.24
    ACD/KOC (pH 7.4): 981.80
    Polar Surface Area: 93 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 59.9±3.0 dyne/cm
    Molar Volume: 193.8±3.0 cm3

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