Found 5 results

Search term: MF = 'C_{9}H_{9}Br_{3}N_{2}O_{3}'
ChemSpider 2D Image | Ethyl 5-methyl-6-oxo-2-(tribromomethyl)-5,6-dihydro-4-pyrimidinecarboxylate | C9H9Br3N2O3

Ethyl 5-methyl-6-oxo-2-(tribromomethyl)-5,6-dihydro-4-pyrimidinecarboxylate

  • Molecular FormulaC9H9Br3N2O3
  • Average mass432.891 Da
  • Monoisotopic mass429.816315 Da
  • ChemSpider ID95693238

More details:

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

4-Pyrimidinecarboxylic acid, 5,6-dihydro-5-methyl-6-oxo-2-(tribromomethyl)-, ethyl ester [ACD/Index Name]
5-Méthyl-6-oxo-2-(tribromométhyl)-5,6-dihydro-4-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-methyl-6-oxo-2-(tribromomethyl)-5,6-dihydro-4-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-5-methyl-6-oxo-2-(tribrommethyl)-5,6-dihydro-4-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 356.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 169.5±30.7 °C
Index of Refraction: 1.653
Molar Refractivity: 73.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 126.44
ACD/KOC (pH 5.5): 1112.07
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 126.44
ACD/KOC (pH 7.4): 1112.07
Polar Surface Area: 68 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 200.8±7.0 cm3

Click to predict properties on the Chemicalize site


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