ChemSpider 2D Image | 3-Bromo-4-(4,4-difluoro-1-piperidinyl)benzonitrile | C12H11BrF2N2

3-Bromo-4-(4,4-difluoro-1-piperidinyl)benzonitrile

  • Molecular FormulaC12H11BrF2N2
  • Average mass301.130 Da
  • Monoisotopic mass300.007355 Da
  • ChemSpider ID32056814

More details:

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

3-Brom-4-(4,4-difluor-1-piperidinyl)benzonitril [German] [ACD/IUPAC Name]
3-Bromo-4-(4,4-difluoro-1-piperidinyl)benzonitrile [ACD/IUPAC Name]
3-Bromo-4-(4,4-difluoro-1-pipéridinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-bromo-4-(4,4-difluoro-1-piperidinyl)- [ACD/Index Name]
1707374-02-4 [RN]
3-Bromo-4-(4,4-difluoropiperidin-1-yl)benzonitrile
MFCD28013954 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 379.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.5±27.9 °C
Index of Refraction: 1.579
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.76
ACD/KOC (pH 5.5): 1624.86
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.76
ACD/KOC (pH 7.4): 1624.86
Polar Surface Area: 27 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 193.5±5.0 cm3

Click to predict properties on the Chemicalize site


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