ChemSpider 2D Image | Methyl 5-iodo-1-[4-(isopropylsulfonyl)phenyl]-1H-pyrazole-4-carboxylate | C14H15IN2O4S

Methyl 5-iodo-1-[4-(isopropylsulfonyl)phenyl]-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H15IN2O4S
  • Average mass434.249 Da
  • Monoisotopic mass433.979706 Da
  • ChemSpider ID117146371

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-iodo-1-[4-[(1-methylethyl)sulfonyl]phenyl]-, methyl ester [ACD/Index Name]
5-Iodo-1-[4-(isopropylsulfonyl)phényl]-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-iodo-1-[4-(isopropylsulfonyl)phenyl]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-5-iod-1-[4-(isopropylsulfonyl)phenyl]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 523.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.6±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.61
ACD/KOC (pH 5.5): 625.62
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.61
ACD/KOC (pH 7.4): 625.62
Polar Surface Area: 87 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 255.6±7.0 cm3

Click to predict properties on the Chemicalize site


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