ChemSpider 2D Image | Methyl 2-amino-6-bromo-7-benzothiazolecarboxylate | C9H7BrN2O2S

Methyl 2-amino-6-bromo-7-benzothiazolecarboxylate

  • Molecular FormulaC9H7BrN2O2S
  • Average mass287.133 Da
  • Monoisotopic mass285.941162 Da
  • ChemSpider ID11505603

More details:

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

225525-53-1 [RN]
2-Amino-6-bromo-1,3-benzothiazole-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
7-Benzothiazolecarboxylic acid, 2-amino-6-bromo-, methyl ester [ACD/Index Name]
Methyl 2-amino-6-bromo-1,3-benzothiazole-7-carboxylate [ACD/IUPAC Name]
Methyl 2-amino-6-bromo-7-benzothiazolecarboxylate
Methyl 2-amino-6-bromobenzo[d]thiazole-7-carboxylate
Methyl-2-amino-6-brom-1,3-benzothiazol-7-carboxylat [German] [ACD/IUPAC Name]
MFCD28099363

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

Density: 1.8±0.1 g/cm3
Boiling Point: 422.5±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.3±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: 2.22
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.70
ACD/KOC (pH 5.5): 642.11
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.71
ACD/KOC (pH 7.4): 642.19
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

Click to predict properties on the Chemicalize site


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