ChemSpider 2D Image | [5-Bromo-1-(3-chlorobenzyl)-2-methyl-1H-indol-3-yl]acetic acid | C18H15BrClNO2

[5-Bromo-1-(3-chlorobenzyl)-2-methyl-1H-indol-3-yl]acetic acid

  • Molecular FormulaC18H15BrClNO2
  • Average mass392.674 Da
  • Monoisotopic mass390.997467 Da
  • ChemSpider ID30658206

More details:

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

[5-Brom-1-(3-chlorbenzyl)-2-methyl-1H-indol-3-yl]essigsäure [German] [ACD/IUPAC Name]
[5-Bromo-1-(3-chlorobenzyl)-2-methyl-1H-indol-3-yl]acetic acid [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 5-bromo-1-[(3-chlorophenyl)methyl]-2-methyl- [ACD/Index Name]
Acide [5-bromo-1-(3-chlorobenzyl)-2-méthyl-1H-indol-3-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 575.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 302.0±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 95.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 316.01
ACD/KOC (pH 5.5): 831.59
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 14.93
Polar Surface Area: 42 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 263.2±7.0 cm3

Click to predict properties on the Chemicalize site


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