Found 77 results

Search term: MF = 'C_{23}H_{31}IN_{2}O_{2}'
ChemSpider 2D Image | Ethyl 1-[cyclobutyl(4-propylphenyl)methyl]-5-iodo-3-isopropyl-1H-pyrazole-4-carboxylate | C23H31IN2O2

Ethyl 1-[cyclobutyl(4-propylphenyl)methyl]-5-iodo-3-isopropyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC23H31IN2O2
  • Average mass494.409 Da
  • Monoisotopic mass494.143005 Da
  • ChemSpider ID122500167

More details:

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

1-[Cyclobutyl(4-propylphényl)méthyl]-5-iodo-3-isopropyl-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[cyclobutyl(4-propylphenyl)methyl]-5-iodo-3-(1-methylethyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-[cyclobutyl(4-propylphenyl)methyl]-5-iodo-3-isopropyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-[cyclobutyl(4-propylphenyl)methyl]-5-iod-3-isopropyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 549.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.8±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.69
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 114917.00
ACD/KOC (pH 5.5): 145814.66
ACD/LogD (pH 7.4): 6.96
ACD/BCF (pH 7.4): 114917.00
ACD/KOC (pH 7.4): 145814.66
Polar Surface Area: 44 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 350.5±7.0 cm3

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