ChemSpider 2D Image | Methyl 5-bromo-2-chloro-4-pyrimidinecarboxylate | C6H4BrClN2O2

Methyl 5-bromo-2-chloro-4-pyrimidinecarboxylate

  • Molecular FormulaC6H4BrClN2O2
  • Average mass251.465 Da
  • Monoisotopic mass249.914459 Da
  • ChemSpider ID28425857

More details:

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

1780305-53-4 [RN]
4-Pyrimidinecarboxylic acid, 5-bromo-2-chloro-, methyl ester [ACD/Index Name]
5-Bromo-2-chloro-4-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-2-chloro-4-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl 5-bromo-2-chloropyrimidine-4-carboxylate
Methyl-5-brom-2-chlor-4-pyrimidincarboxylat [German] [ACD/IUPAC Name]
MFCD22572405

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

Density: 1.8±0.1 g/cm3
Boiling Point: 354.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 168.0±22.3 °C
Index of Refraction: 1.574
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.24
ACD/KOC (pH 5.5): 221.13
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.24
ACD/KOC (pH 7.4): 221.13
Polar Surface Area: 52 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 141.9±3.0 cm3

Click to predict properties on the Chemicalize site


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