ChemSpider 2D Image | 1-(2-Chloro-4-fluorobenzyl)-1H-indole-3-carboxylic acid | C16H11ClFNO2

1-(2-Chloro-4-fluorobenzyl)-1H-indole-3-carboxylic acid

  • Molecular FormulaC16H11ClFNO2
  • Average mass303.715 Da
  • Monoisotopic mass303.046234 Da
  • ChemSpider ID24241475

More details:

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

1-(2-Chlor-4-fluorbenzyl)-1H-indol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(2-Chloro-4-fluorobenzyl)-1H-indole-3-carboxylic acid [ACD/IUPAC Name]
1H-Indole-3-carboxylic acid, 1-[(2-chloro-4-fluorophenyl)methyl]- [ACD/Index Name]
Acide 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carboxylique [French] [ACD/IUPAC Name]
1-(2-Chloro-4-fluoro-benzyl)-1H-indole-3-carboxylic acid
1-[(2-CHLORO-4-FLUOROPHENYL)METHYL]-1H-INDOLE-3-CARBOXYLIC ACID
1-[(2-CHLORO-4-FLUOROPHENYL)METHYL]INDOLE-3-CARBOXYLIC ACID

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

Density: 1.4±0.0 g/cm3
Boiling Point: 518.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 83.3±0.0 kJ/mol
Flash Point: 267.4±0.0 °C
Index of Refraction: 1.627
Molar Refractivity: 78.8±0.0 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 92.03
ACD/KOC (pH 5.5): 303.69
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 3.97
ACD/KOC (pH 7.4): 13.09
Polar Surface Area: 42 Å2
Polarizability: 31.2±0.0 10-24cm3
Surface Tension: 47.1±0.0 dyne/cm
Molar Volume: 222.2±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement