ChemSpider 2D Image | 5-Chloro-6-oxohexahydro-4-pyrimidinecarboxylic acid | C5H7ClN2O3

5-Chloro-6-oxohexahydro-4-pyrimidinecarboxylic acid

  • Molecular FormulaC5H7ClN2O3
  • Average mass178.574 Da
  • Monoisotopic mass178.014526 Da
  • ChemSpider ID60902310

More details:

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

4-Pyrimidinecarboxylic acid, 5-chlorohexahydro-6-oxo- [ACD/Index Name]
5-Chlor-6-oxohexahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-Chloro-6-oxohexahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-6-oxohexahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
1822504-75-5 [RN]
914916-96-4 [RN]
MFCD12911627 [MDL number]
MFCD27988630

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

Density: 1.6±0.1 g/cm3
Boiling Point: 499.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 256.0±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 37.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.97
ACD/LogD (pH 5.5): -3.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 113.2±5.0 cm3

Click to predict properties on the Chemicalize site


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