ChemSpider 2D Image | 5-Chloro-3-(methoxycarbonyl)-1,2,4-triazine-6-carboxylic acid | C6H4ClN3O4

5-Chloro-3-(methoxycarbonyl)-1,2,4-triazine-6-carboxylic acid

  • Molecular FormulaC6H4ClN3O4
  • Average mass217.567 Da
  • Monoisotopic mass216.989029 Da
  • ChemSpider ID62083150

More details:

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

1,2,4-Triazine-3,6-dicarboxylic acid, 5-chloro-, 3-methyl ester [ACD/Index Name]
5-Chlor-3-(methoxycarbonyl)-1,2,4-triazin-6-carbonsäure [German] [ACD/IUPAC Name]
5-Chloro-3-(methoxycarbonyl)-1,2,4-triazine-6-carboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-3-(méthoxycarbonyl)-1,2,4-triazine-6-carboxylique [French] [ACD/IUPAC Name]
2092621-43-5 [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: 451.9±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 227.1±29.6 °C
Index of Refraction: 1.586
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -3.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 131.5±3.0 cm3

Click to predict properties on the Chemicalize site


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