ChemSpider 2D Image | 2-Bromo-4-(3,3-difluoro-1-pyrrolidinyl)benzonitrile | C11H9BrF2N2

2-Bromo-4-(3,3-difluoro-1-pyrrolidinyl)benzonitrile

  • Molecular FormulaC11H9BrF2N2
  • Average mass287.103 Da
  • Monoisotopic mass285.991699 Da
  • ChemSpider ID32056783

More details:

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

2-Brom-4-(3,3-difluor-1-pyrrolidinyl)benzonitril [German] [ACD/IUPAC Name]
2-Bromo-4-(3,3-difluoro-1-pyrrolidinyl)benzonitrile [ACD/IUPAC Name]
2-Bromo-4-(3,3-difluoro-1-pyrrolidinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-bromo-4-(3,3-difluoro-1-pyrrolidinyl)- [ACD/Index Name]
1779136-52-5 [RN]
2-Bromo-4-(3,3-difluoropyrrolidin-1-yl)benzonitrile
MFCD28013912 [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: 408.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.8±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 59.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 144.94
ACD/KOC (pH 5.5): 1226.28
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 144.94
ACD/KOC (pH 7.4): 1226.28
Polar Surface Area: 27 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 177.1±5.0 cm3

Click to predict properties on the Chemicalize site


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