ChemSpider 2D Image | 3-({[1-(Difluoromethyl)-1H-pyrazol-4-yl]carbonyl}amino)-2-methylpropanoic acid | C9H11F2N3O3

3-({[1-(Difluoromethyl)-1H-pyrazol-4-yl]carbonyl}amino)-2-methylpropanoic acid

  • Molecular FormulaC9H11F2N3O3
  • Average mass247.199 Da
  • Monoisotopic mass247.076843 Da
  • ChemSpider ID64917941

More details:

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

3-({[1-(Difluormethyl)-1H-pyrazol-4-yl]carbonyl}amino)-2-methylpropansäure [German] [ACD/IUPAC Name]
3-({[1-(Difluoromethyl)-1H-pyrazol-4-yl]carbonyl}amino)-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 3-({[1-(difluorométhyl)-1H-pyrazol-4-yl]carbonyl}amino)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[[1-(difluoromethyl)-1H-pyrazol-4-yl]carbonyl]amino]-2-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 481.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 244.8±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 53.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 166.0±7.0 cm3

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