ChemSpider 2D Image | 7-[(cis-4-Aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid | C15H17BrN2O3

7-[(cis-4-Aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid

  • Molecular FormulaC15H17BrN2O3
  • Average mass353.211 Da
  • Monoisotopic mass352.042236 Da
  • ChemSpider ID26329267

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Benzofurancarboxylic acid, 7-[(cis-4-aminocyclohexyl)amino]-5-bromo- [ACD/Index Name]
7-[(cis-4-Aminocyclohexyl)amino]-5-brom-1-benzofuran-2-carbonsäure [German] [ACD/IUPAC Name]
7-[(cis-4-Aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofurane-2-carboxylique [French] [ACD/IUPAC Name]
UNM

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

Density: 1.6±0.1 g/cm3
Boiling Point: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 85.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 88 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

Click to predict properties on the Chemicalize site


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