ChemSpider 2D Image | 3-Iodo-1H-indole-5-carboxylic acid | C9H6INO2

3-Iodo-1H-indole-5-carboxylic acid

  • Molecular FormulaC9H6INO2
  • Average mass287.054 Da
  • Monoisotopic mass286.944305 Da
  • ChemSpider ID26055371

More details:

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

1308644-52-1 [RN]
1H-Indole-5-carboxylic acid, 3-iodo- [ACD/Index Name]
3-Iod-1H-indol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Iodo-1H-indole-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-iodo-1H-indole-5-carboxylique [French] [ACD/IUPAC Name]
MFCD18089660 [MDL number]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 490.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.5±23.2 °C
Index of Refraction: 1.800
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 5.06
ACD/KOC (pH 5.5): 46.11
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 53 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 80.2±3.0 dyne/cm
Molar Volume: 136.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement