Found 13 results

Search term: MF = 'C_{6}H_{5}FN_{2}O_{4}'
ChemSpider 2D Image | 5-[Carboxy(fluoro)methyl]-1H-pyrazole-3-carboxylic acid | C6H5FN2O4

5-[Carboxy(fluoro)methyl]-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC6H5FN2O4
  • Average mass188.113 Da
  • Monoisotopic mass188.023331 Da
  • ChemSpider ID96490469

More details:

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

1H-Pyrazole-5-acetic acid, 3-carboxy-α-fluoro- [ACD/Index Name]
5-[Carboxy(fluor)methyl]-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-[Carboxy(fluoro)methyl]-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-[carboxy(fluoro)méthyl]-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 563.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.4±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 37.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -4.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 89.7±3.0 dyne/cm
Molar Volume: 107.1±3.0 cm3

Click to predict properties on the Chemicalize site


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