ChemSpider 2D Image | 5-(3,4-Difluorophenyl)nicotinic acid | C12H7F2NO2

5-(3,4-Difluorophenyl)nicotinic acid

  • Molecular FormulaC12H7F2NO2
  • Average mass235.186 Da
  • Monoisotopic mass235.044479 Da
  • ChemSpider ID22651200

More details:

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

3-Pyridinecarboxylic acid, 5-(3,4-difluorophenyl)- [ACD/Index Name]
5-(3,4-Difluorophenyl)nicotinic acid [ACD/IUPAC Name]
5-(3,4-Difluorphenyl)nicotinsäure [German] [ACD/IUPAC Name]
Acide 5-(3,4-difluorophényl)nicotinique [French] [ACD/IUPAC Name]
1048486-16-3 [RN]
5-(3,4-difluorophenyl)-3-pyridinecarboxylic acid
5-(3,4-Difluorophenyl)-nicotinic acid
5-(3,4-difluorophenyl)pyridine-3-carboxylic acid
5-[3,4-bis(fluoranyl)phenyl]pyridine-3-carboxylic acid
95%
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 418.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 206.7±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 55.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.08
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 168.9±3.0 cm3

Click to predict properties on the Chemicalize site


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