ChemSpider 2D Image | 3-(4-Bromophenyl)(2,3-~2~H_2_)propanoic acid | C9H7D2BrO2

3-(4-Bromophenyl)(2,3-2H2)propanoic acid

  • Molecular FormulaC9H7D2BrO2
  • Average mass231.083 Da
  • Monoisotopic mass229.991135 Da
  • ChemSpider ID9076893

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(4-Bromophenyl)(2,3-2H2)propanoic acid [ACD/IUPAC Name]
3-(4-Bromphenyl)(2,3-2H2)propansäure [German] [ACD/IUPAC Name]
Acide 3-(4-bromophényl)(2,3-2H2)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic-α,β-d2 acid, 4-bromo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 336.3±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 157.2±20.9 °C
Index of Refraction: 1.579
Molar Refractivity: 49.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 6.05
ACD/KOC (pH 5.5): 67.81
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.07
Polar Surface Area: 37 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 149.6±3.0 cm3

Click to predict properties on the Chemicalize site


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