ChemSpider 2D Image | 5-Bromo-3-chloro-2-fluorobenzonitrile | C7H2BrClFN

5-Bromo-3-chloro-2-fluorobenzonitrile

  • Molecular FormulaC7H2BrClFN
  • Average mass234.453 Da
  • Monoisotopic mass232.904312 Da
  • ChemSpider ID21391098

More details:

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

1000577-76-3 [RN]
18922907 [Beilstein]
5-Brom-3-chlor-2-fluorbenzonitril [German] [ACD/IUPAC Name]
5-Bromo-3-chloro-2-fluorobenzonitrile [ACD/IUPAC Name]
5-Bromo-3-chloro-2-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-bromo-3-chloro-2-fluoro- [ACD/Index Name]
NCR CG BF EE [WLN]
FS-6140
MFCD09800811 [MDL number]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 239.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 98.7±25.9 °C
Index of Refraction: 1.596
Molar Refractivity: 44.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.59
ACD/KOC (pH 5.5): 1435.31
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.59
ACD/KOC (pH 7.4): 1435.31
Polar Surface Area: 24 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 129.2±5.0 cm3

Click to predict properties on the Chemicalize site


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