ChemSpider 2D Image | 3-(3-{[4-Chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-methoxyphenyl)-2-oxopropanoic acid | C16H13ClF4N2O4

3-(3-{[4-Chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-methoxyphenyl)-2-oxopropanoic acid

  • Molecular FormulaC16H13ClF4N2O4
  • Average mass408.732 Da
  • Monoisotopic mass408.049988 Da
  • ChemSpider ID102113650

More details:

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

3-(3-{[4-Chlor-3,5-bis(difluormethyl)-1H-pyrazol-1-yl]methyl}-4-methoxyphenyl)-2-oxopropansäure [German] [ACD/IUPAC Name]
3-(3-{[4-Chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-methoxyphenyl)-2-oxopropanoic acid [ACD/IUPAC Name]
Acide 3-(3-{[4-chloro-3,5-bis(difluorométhyl)-1H-pyrazol-1-yl]méthyl}-4-méthoxyphényl)-2-oxopropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-[[4-chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-methoxy-α-oxo- [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: 525.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 271.8±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 86.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 267.0±7.0 cm3

Click to predict properties on the Chemicalize site


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