ChemSpider 2D Image | 3',6-Difluoro-4'-hydroxy-3-biphenylcarboxylic acid | C13H8F2O3

3',6-Difluoro-4'-hydroxy-3-biphenylcarboxylic acid

  • Molecular FormulaC13H8F2O3
  • Average mass250.198 Da
  • Monoisotopic mass250.044144 Da
  • ChemSpider ID26533960

More details:






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

[1,1′-Biphenyl]-3-carboxylic acid, 3′,6-difluoro-4′-hydroxy-
[1,1'-Biphenyl]-3-carboxylic acid, 3',6-difluoro-4'-hydroxy- [ACD/Index Name]
1261996-92-2 [RN]
3',6-Difluor-4'-hydroxy-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3',6-Difluoro-4'-hydroxy-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 3',6-difluoro-4'-hydroxy-3-biphénylcarboxylique [French] [ACD/IUPAC Name]
3',6-Difluoro-4'-hydroxy[1,1'-biphenyl]-3-carboxylic acid
3',6-Difluoro-4'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
4-(5-Carboxy-2-fluorophenyl)-2-fluorophenol
YA-2805

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 414.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 204.2±28.7 °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: 3.89
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 6.28
ACD/KOC (pH 5.5): 45.96
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
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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