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

Ethyl 1-[4-(ethylsulfonyl)phenyl]-5-iodo-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H15IN2O4S
  • Average mass434.249 Da
  • Monoisotopic mass433.979706 Da
  • ChemSpider ID117152470

More details:

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

1-[4-(Éthylsulfonyl)phényl]-5-iodo-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[4-(ethylsulfonyl)phenyl]-5-iodo-, ethyl ester [ACD/Index Name]
Ethyl 1-[4-(ethylsulfonyl)phenyl]-5-iodo-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-[4-(ethylsulfonyl)phenyl]-5-iod-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: 530.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.3±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 93.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.65
ACD/KOC (pH 5.5): 703.20
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.65
ACD/KOC (pH 7.4): 703.20
Polar Surface Area: 87 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 256.4±7.0 cm3

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