ChemSpider 2D Image | Methyl 1-[(4-methylphenyl)sulfonyl]-4-nitro-1H-pyrrole-2-carboxylate | C13H12N2O6S

Methyl 1-[(4-methylphenyl)sulfonyl]-4-nitro-1H-pyrrole-2-carboxylate

  • Molecular FormulaC13H12N2O6S
  • Average mass324.309 Da
  • Monoisotopic mass324.041595 Da
  • ChemSpider ID23919469

More details:

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

1-[(4-Méthylphényl)sulfonyl]-4-nitro-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-4-nitro-, methyl ester [ACD/Index Name]
Methyl 1-[(4-methylphenyl)sulfonyl]-4-nitro-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-1-[(4-methylphenyl)sulfonyl]-4-nitro-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
4-Nitro-1-(p-toluenesulfonyl)pyrrole-2-carboxylic acid methyl ester
930111-86-7 [RN]
Methyl 1-(4-methylbenzene-1-sulfonyl)-4-nitro-1H-pyrrole-2-carboxylate
METHYL 1-(4-METHYLBENZENESULFONYL)-4-NITRO-1H-PYRROLE-2-CARBOXYLATE
METHYL 1-(4-METHYLBENZENESULFONYL)-4-NITROPYRROLE-2-CARBOXYLATE
Methyl 4-nitro-1-(p-toluenesulfonyl)pyrrole-2-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 518.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 78.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.55
ACD/KOC (pH 5.5): 466.38
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.55
ACD/KOC (pH 7.4): 466.38
Polar Surface Area: 120 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 223.4±7.0 cm3

Click to predict properties on the Chemicalize site


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