ChemSpider 2D Image | 3-(Bromomethyl)-1-(phenylsulfonyl)-1H-indole-2-carbonitrile | C16H11BrN2O2S

3-(Bromomethyl)-1-(phenylsulfonyl)-1H-indole-2-carbonitrile

  • Molecular FormulaC16H11BrN2O2S
  • Average mass375.240 Da
  • Monoisotopic mass373.972443 Da
  • ChemSpider ID21126577

More details:

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

1H-Indole-2-carbonitrile, 3-(bromomethyl)-1-(phenylsulfonyl)- [ACD/Index Name]
3-(Brommethyl)-1-(phenylsulfonyl)-1H-indol-2-carbonitril [German] [ACD/IUPAC Name]
3-(Bromomethyl)-1-(phenylsulfonyl)-1H-indole-2-carbonitrile [ACD/IUPAC Name]
3-(Bromométhyl)-1-(phénylsulfonyl)-1H-indole-2-carbonitrile [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: 569.1±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.0±32.3 °C
Index of Refraction: 1.673
Molar Refractivity: 91.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.93
ACD/KOC (pH 5.5): 1292.11
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.93
ACD/KOC (pH 7.4): 1292.11
Polar Surface Area: 71 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 245.1±7.0 cm3

Click to predict properties on the Chemicalize site


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