ChemSpider 2D Image | 2',4'-Difluoro-4-hydroxy-3-(2,5,6-~2~H_3_)biphenylcarboxylic acid | C13H5D3F2O3

2',4'-Difluoro-4-hydroxy-3-(2,5,6-2H3)biphenylcarboxylic acid

  • Molecular FormulaC13H5D3F2O3
  • Average mass253.216 Da
  • Monoisotopic mass253.062988 Da
  • ChemSpider ID48059919

  • Non-standard isotope - Non-standard isotope

More details:

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

[1,1'-Biphenyl-2,5,6-d3]-3-carboxylic acid, 2',4'-difluoro-4-hydroxy- [ACD/Index Name]
2',4'-Difluor-4-hydroxy-3-(2,5,6-2H3)biphenylcarbonsäure [German] [ACD/IUPAC Name]
2',4'-Difluoro-4-hydroxy-3-(2,5,6-2H3)biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 2',4'-difluoro-4-hydroxy-3-(2,5,6-2H3)biphénylcarboxylique [French] [ACD/IUPAC Name]
1286107-99-0 [RN]
2,4,5-trideuterio-3-(2,4-difluorophenyl)-6-hydroxybenzoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 386.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 187.8±27.9 °C
Index of Refraction: 1.601
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 5.56
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.74
Polar Surface Area: 58 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 174.1±3.0 cm3

Click to predict properties on the Chemicalize site


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