ChemSpider 2D Image | 2-[4-Bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]butanoic acid | C9H11BrF2N2O2

2-[4-Bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]butanoic acid

  • Molecular FormulaC9H11BrF2N2O2
  • Average mass297.097 Da
  • Monoisotopic mass295.997192 Da
  • ChemSpider ID58123948

More details:






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

1H-Pyrazole-1-acetic acid, 4-bromo-3-(difluoromethyl)-α-ethyl-5-methyl- [ACD/Index Name]
2-[4-Brom-3-(difluormethyl)-5-methyl-1H-pyrazol-1-yl]butansäure [German] [ACD/IUPAC Name]
2-[4-Bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]butanoic acid [ACD/IUPAC Name]
Acide 2-[4-bromo-3-(difluorométhyl)-5-méthyl-1H-pyrazol-1-yl]butanoïque [French] [ACD/IUPAC Name]
MFCD30377652

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

Density: 1.7±0.1 g/cm3
Boiling Point: 384.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 186.4±27.9 °C
Index of Refraction: 1.564
Molar Refractivity: 57.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.96
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 175.7±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement