ChemSpider 2D Image | [(5-Bromo-2-fluorobenzyl)(2-hydroxyethyl)amino]acetonitrile | C11H12BrFN2O

[(5-Bromo-2-fluorobenzyl)(2-hydroxyethyl)amino]acetonitrile

  • Molecular FormulaC11H12BrFN2O
  • Average mass287.128 Da
  • Monoisotopic mass286.011688 Da
  • ChemSpider ID30166256

More details:

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

[(5-Brom-2-fluorbenzyl)(2-hydroxyethyl)amino]acetonitril [German] [ACD/IUPAC Name]
[(5-Bromo-2-fluorobenzyl)(2-hydroxyethyl)amino]acetonitrile [ACD/IUPAC Name]
[(5-Bromo-2-fluorobenzyl)(2-hydroxyéthyl)amino]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[[(5-bromo-2-fluorophenyl)methyl](2-hydroxyethyl)amino]- [ACD/Index Name]
2-{[(5-BROMO-2-FLUOROPHENYL)METHYL](2-HYDROXYETHYL)AMINO}ACETONITRILE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 410.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 201.7±27.3 °C
Index of Refraction: 1.571
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.42
ACD/KOC (pH 5.5): 352.52
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.47
ACD/KOC (pH 7.4): 353.18
Polar Surface Area: 47 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 190.3±3.0 cm3

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