ChemSpider 2D Image | 3-[5-(Difluoromethyl)-3-methyl-4-nitro-1H-pyrazol-1-yl]butanoic acid | C9H11F2N3O4

3-[5-(Difluoromethyl)-3-methyl-4-nitro-1H-pyrazol-1-yl]butanoic acid

  • Molecular FormulaC9H11F2N3O4
  • Average mass263.198 Da
  • Monoisotopic mass263.071747 Da
  • ChemSpider ID58124025

More details:

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

1H-Pyrazole-1-propanoic acid, 5-(difluoromethyl)-β,3-dimethyl-4-nitro- [ACD/Index Name]
3-[5-(Difluormethyl)-3-methyl-4-nitro-1H-pyrazol-1-yl]butansäure [German] [ACD/IUPAC Name]
3-[5-(Difluoromethyl)-3-methyl-4-nitro-1H-pyrazol-1-yl]butanoic acid [ACD/IUPAC Name]
Acide 3-[5-(difluorométhyl)-3-méthyl-4-nitro-1H-pyrazol-1-yl]butanoïque [French] [ACD/IUPAC Name]
MFCD30377729

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

Density: 1.6±0.1 g/cm3
Boiling Point: 435.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 217.1±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 55.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.25
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 168.6±7.0 cm3

Click to predict properties on the Chemicalize site


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