ChemSpider 2D Image | 5-Bromo-6-(methoxycarbonyl)-1,2,4-triazine-3-carboxylic acid | C6H4BrN3O4

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

  • Molecular FormulaC6H4BrN3O4
  • Average mass262.018 Da
  • Monoisotopic mass260.938507 Da
  • ChemSpider ID61791421

More details:

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

1,2,4-Triazine-3,6-dicarboxylic acid, 5-bromo-, 6-methyl ester [ACD/Index Name]
5-Brom-6-(methoxycarbonyl)-1,2,4-triazin-3-carbonsäure [German] [ACD/IUPAC Name]
5-Bromo-6-(methoxycarbonyl)-1,2,4-triazine-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-bromo-6-(méthoxycarbonyl)-1,2,4-triazine-3-carboxylique [French] [ACD/IUPAC Name]
2092370-45-9 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 481.6±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 245.1±29.6 °C
Index of Refraction: 1.608
Molar Refractivity: 46.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 81.0±3.0 dyne/cm
Molar Volume: 135.7±3.0 cm3

Click to predict properties on the Chemicalize site


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