ChemSpider 2D Image | 5-Cyano-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid | C7H5N3O4S

5-Cyano-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid

  • Molecular FormulaC7H5N3O4S
  • Average mass227.197 Da
  • Monoisotopic mass227.000076 Da
  • ChemSpider ID61984111

More details:

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

4-Pyrimidinecarboxylic acid, 5-cyano-2-(methylsulfonyl)- [ACD/Index Name]
5-Cyan-2-(methylsulfonyl)-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-Cyano-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
Acide 5-cyano-2-(méthylsulfonyl)-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
2092475-63-1 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 579.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 303.9±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 46.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.02
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 103.1±5.0 dyne/cm
Molar Volume: 132.6±5.0 cm3

Click to predict properties on the Chemicalize site


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