ChemSpider 2D Image | Methyl 4-[(chlorosulfonyl)methyl]-1-methyl-1H-pyrrole-2-carboxylate | C8H10ClNO4S

Methyl 4-[(chlorosulfonyl)methyl]-1-methyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC8H10ClNO4S
  • Average mass251.687 Da
  • Monoisotopic mass251.001907 Da
  • ChemSpider ID65451190

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[(chlorosulfonyl)methyl]-1-methyl-, methyl ester [ACD/Index Name]
4-[(Chlorosulfonyl)méthyl]-1-méthyl-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[(chlorosulfonyl)methyl]-1-methyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-4-[(chlorsulfonyl)methyl]-1-methyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
2228663-06-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 393.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.7±26.5 °C
Index of Refraction: 1.564
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.26
ACD/KOC (pH 5.5): 171.15
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.26
ACD/KOC (pH 7.4): 171.15
Polar Surface Area: 74 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 175.3±7.0 cm3

Click to predict properties on the Chemicalize site


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