Found 646 results

Search term: MF = 'C_{14}H_{21}ClN_{2}O_{4}'
ChemSpider 2D Image | [(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl 5-chloro-3-isopropyl-1-methyl-1H-pyrazole-4-carboxylate | C14H21ClN2O4

[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl 5-chloro-3-isopropyl-1-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H21ClN2O4
  • Average mass316.780 Da
  • Monoisotopic mass316.118988 Da
  • ChemSpider ID30274864

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl 5-chloro-3-isopropyl-1-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl-5-chlor-3-isopropyl-1-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-3-(1-methylethyl)-, [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester [ACD/Index Name]
5-Chloro-3-isopropyl-1-méthyl-1H-pyrazole-4-carboxylate de [(4R)-2,2-diméthyl-1,3-dioxolan-4-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 406.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 199.8±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.25
ACD/KOC (pH 5.5): 831.65
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.25
ACD/KOC (pH 7.4): 831.65
Polar Surface Area: 63 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 243.6±7.0 cm3

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