ChemSpider 2D Image | 1-[(2,5-Dibromophenyl)sulfonyl]-3-methylcyclobutanecarbonitrile | C12H11Br2NO2S

1-[(2,5-Dibromophenyl)sulfonyl]-3-methylcyclobutanecarbonitrile

  • Molecular FormulaC12H11Br2NO2S
  • Average mass393.094 Da
  • Monoisotopic mass390.887695 Da
  • ChemSpider ID44383456

More details:

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

1-[(2,5-Dibromophenyl)sulfonyl]-3-methylcyclobutanecarbonitrile [ACD/IUPAC Name]
1-[(2,5-Dibromophényl)sulfonyl]-3-méthylcyclobutanecarbonitrile [French] [ACD/IUPAC Name]
1-[(2,5-Dibromphenyl)sulfonyl]-3-methylcyclobutancarbonitril [German] [ACD/IUPAC Name]
Cyclobutanecarbonitrile, 1-[(2,5-dibromophenyl)sulfonyl]-3-methyl- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 534.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.8±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.59
ACD/KOC (pH 5.5): 917.12
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.59
ACD/KOC (pH 7.4): 917.12
Polar Surface Area: 66 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 210.3±5.0 cm3

Click to predict properties on the Chemicalize site


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