ChemSpider 2D Image | 2-(3,4-Dichlorobenzyl)-5,6-Dihydroxypyrimidine-4-Carboxylic Acid | C12H8Cl2N2O4

2-(3,4-Dichlorobenzyl)-5,6-Dihydroxypyrimidine-4-Carboxylic Acid

  • Molecular FormulaC12H8Cl2N2O4
  • Average mass315.109 Da
  • Monoisotopic mass313.986115 Da
  • ChemSpider ID24619479

More details:

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

2-(3,4-Dichlorbenzyl)-5-hydroxy-6-oxo-1,6-dihydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
2-(3,4-Dichlorobenzyl)-5,6-Dihydroxypyrimidine-4-Carboxylic Acid
2-(3,4-Dichlorobenzyl)-5-hydroxy-6-oxo-1,6-dihydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
4-Pyrimidinecarboxylic acid, 2-[(3,4-dichlorophenyl)methyl]-5,6-dihydroxy- [ACD/Index Name]
Acide 2-(3,4-dichlorobenzyl)-5-hydroxy-6-oxo-1,6-dihydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
ON1
pyrimidinol carboxylic acid, 9

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

Density: 1.7±0.1 g/cm3
Boiling Point: 550.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.0±30.1 °C
Index of Refraction: 1.692
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.67
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 83.8±3.0 dyne/cm
Molar Volume: 188.6±3.0 cm3

Click to predict properties on the Chemicalize site


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