ChemSpider 2D Image | 2-Bromo-4-(3,3,3-trifluoropropoxy)benzonitrile | C10H7BrF3NO

2-Bromo-4-(3,3,3-trifluoropropoxy)benzonitrile

  • Molecular FormulaC10H7BrF3NO
  • Average mass294.068 Da
  • Monoisotopic mass292.966309 Da
  • ChemSpider ID32056785

More details:

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

2-Brom-4-(3,3,3-trifluorpropoxy)benzonitril [German] [ACD/IUPAC Name]
2-Bromo-4-(3,3,3-trifluoropropoxy)benzonitrile [ACD/IUPAC Name]
2-Bromo-4-(3,3,3-trifluoropropoxy)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-bromo-4-(3,3,3-trifluoropropoxy)- [ACD/Index Name]
1779124-92-3 [RN]
MFCD28013914 [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: 323.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.5±27.9 °C
Index of Refraction: 1.509
Molar Refractivity: 55.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 315.30
ACD/KOC (pH 5.5): 2138.90
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 315.30
ACD/KOC (pH 7.4): 2138.90
Polar Surface Area: 33 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 184.4±5.0 cm3

Click to predict properties on the Chemicalize site


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