Found 2 results

Search term: BJJDHOPCQJHYQH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-(2-Bromophenyl)(hydroxy)acetonitrile | C8H6BrNO

(2R)-(2-Bromophenyl)(hydroxy)acetonitrile

  • Molecular FormulaC8H6BrNO
  • Average mass212.043 Da
  • Monoisotopic mass210.963272 Da
  • ChemSpider ID75000427

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-(2-Bromophenyl)(hydroxy)acetonitrile [ACD/IUPAC Name]
(2R)-(2-Bromophényl)(hydroxy)acétonitrile [French] [ACD/IUPAC Name]
(2R)-(2-Bromphenyl)(hydroxy)acetonitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, 2-bromo-α-hydroxy-, (αR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 347.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 163.9±23.7 °C
Index of Refraction: 1.607
Molar Refractivity: 44.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.78
ACD/KOC (pH 5.5): 164.80
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.76
ACD/KOC (pH 7.4): 164.46
Polar Surface Area: 44 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 130.1±3.0 cm3

Click to predict properties on the Chemicalize site


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