ChemSpider 2D Image | Methyl 2-amino-4-bromobenzo[d]thiazole-6-carboxylate | C9H7BrN2O2S

Methyl 2-amino-4-bromobenzo[d]thiazole-6-carboxylate

  • Molecular FormulaC9H7BrN2O2S
  • Average mass287.133 Da
  • Monoisotopic mass285.941162 Da
  • ChemSpider ID32058237

More details:

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

1155287-27-6 [RN]
2-Amino-4-bromo-1,3-benzothiazole-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
6-Benzothiazolecarboxylic acid, 2-amino-4-bromo-, methyl ester [ACD/Index Name]
Methyl 2-amino-4-bromo-1,3-benzothiazole-6-carboxylate [ACD/IUPAC Name]
Methyl 2-amino-4-bromobenzo[d]thiazole-6-carboxylate
Methyl-2-amino-4-brom-1,3-benzothiazol-6-carboxylat [German] [ACD/IUPAC Name]
2-Amino-4-bromo-benzothiazole-6-carboxylic acid methyl ester
AJ-142132
AK156004
AKOS024261396
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 426.3±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 211.6±29.6 °C
    Index of Refraction: 1.721
    Molar Refractivity: 64.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.55
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 70.18
    ACD/KOC (pH 5.5): 729.67
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 70.18
    ACD/KOC (pH 7.4): 729.69
    Polar Surface Area: 93 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 69.5±3.0 dyne/cm
    Molar Volume: 162.6±3.0 cm3

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