ChemSpider 2D Image | 4-Chloro-6-(methylsulfonyl)-5-pyrimidinecarboxylic acid | C6H5ClN2O4S

4-Chloro-6-(methylsulfonyl)-5-pyrimidinecarboxylic acid

  • Molecular FormulaC6H5ClN2O4S
  • Average mass236.633 Da
  • Monoisotopic mass235.965851 Da
  • ChemSpider ID58666446

More details:

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

4-Chlor-6-(methylsulfonyl)-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
4-Chloro-6-(methylsulfonyl)-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-chloro-6-(methylsulfonyl)- [ACD/Index Name]
Acide 4-chloro-6-(méthylsulfonyl)-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
1782192-41-9 [RN]
4-Chloro-6-(methylsulfonyl)pyrimidine-5-carboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 524.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.7±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 46.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 142.1±3.0 cm3

Click to predict properties on the Chemicalize site


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