ChemSpider 2D Image | 3-Amino-5-chloro-1-benzofuran-2-carboxylic acid | C9H6ClNO3

3-Amino-5-chloro-1-benzofuran-2-carboxylic acid

  • Molecular FormulaC9H6ClNO3
  • Average mass211.602 Da
  • Monoisotopic mass211.003616 Da
  • ChemSpider ID26540722

More details:

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

2-Benzofurancarboxylic acid, 3-amino-5-chloro- [ACD/Index Name]
3-Amino-5-chlor-1-benzofuran-2-carbonsäure [German] [ACD/IUPAC Name]
3-Amino-5-chloro-1-benzofuran-2-carboxylic acid [ACD/IUPAC Name]
894796-29-3 [RN]
Acide 3-amino-5-chloro-1-benzofurane-2-carboxylique [French] [ACD/IUPAC Name]
3-amino-5-chlorobenzo[b]furan-2-carboxylic acid
3-Amino-5-chloro-benzofuran-2-carboxylic acid
3-AMINO-5-CHLOROBENZOFURAN-2-CARBOXYLIC ACID
atoms 14 bonds 15
MFCD22988712

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

Density: 1.6±0.1 g/cm3
Boiling Point: 402.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 197.3±28.7 °C
Index of Refraction: 1.718
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 14.48
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 133.1±3.0 cm3

Click to predict properties on the Chemicalize site


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