ChemSpider 2D Image | 1-(2-FLUOROETHYL)-3-METHYLPYRAZOLE-4-CARBOXYLIC ACID | C7H9FN2O2

1-(2-FLUOROETHYL)-3-METHYLPYRAZOLE-4-CARBOXYLIC ACID

  • Molecular FormulaC7H9FN2O2
  • Average mass172.157 Da
  • Monoisotopic mass172.064804 Da
  • ChemSpider ID32838450

More details:

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

1-(2-Fluorethyl)-3-methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2-Fluoroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1-(2-FLUOROETHYL)-3-METHYLPYRAZOLE-4-CARBOXYLIC ACID
1427012-08-5 [RN]
1H-Pyrazole-4-carboxylic acid, 1-(2-fluoroethyl)-3-methyl- [ACD/Index Name]
Acide 1-(2-fluoroéthyl)-3-méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1-(2-Fluoro-ethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
MFCD23130721

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

Density: 1.3±0.1 g/cm3
Boiling Point: 330.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 153.7±25.1 °C
Index of Refraction: 1.544
Molar Refractivity: 40.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.76
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 128.8±7.0 cm3

Click to predict properties on the Chemicalize site


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