ChemSpider 2D Image | 3-Bromo-4-(4-chloro-5-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)benzonitrile | C12H7BrClN3O2

3-Bromo-4-(4-chloro-5-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)benzonitrile

  • Molecular FormulaC12H7BrClN3O2
  • Average mass340.560 Da
  • Monoisotopic mass338.941010 Da
  • ChemSpider ID47591700

More details:

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

3-Brom-4-(4-chlor-5-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)benzonitril [German] [ACD/IUPAC Name]
3-Bromo-4-(4-chloro-5-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)benzonitrile [ACD/IUPAC Name]
3-Bromo-4-(4-chloro-5-méthyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-bromo-4-(4-chloro-3,6-dihydro-5-methyl-2,6-dioxo-1(2H)-pyrimidinyl)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 72.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.31
ACD/KOC (pH 5.5): 256.53
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 23.74
Polar Surface Area: 73 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 189.0±5.0 cm3

Click to predict properties on the Chemicalize site


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