ChemSpider 2D Image | 2-Bromo-4-cyano-6-methoxy-5-pyrimidinecarboxylic acid | C7H4BrN3O3

2-Bromo-4-cyano-6-methoxy-5-pyrimidinecarboxylic acid

  • Molecular FormulaC7H4BrN3O3
  • Average mass258.029 Da
  • Monoisotopic mass256.943604 Da
  • ChemSpider ID45649854

More details:

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

2-Brom-4-cyan-6-methoxy-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
2-Bromo-4-cyano-6-methoxy-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-bromo-4-cyano-6-methoxy- [ACD/Index Name]
Acide 2-bromo-4-cyano-6-méthoxy-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
1781753-65-8 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 504.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.8±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 47.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 96.7±5.0 dyne/cm
Molar Volume: 132.1±5.0 cm3

Click to predict properties on the Chemicalize site


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