ChemSpider 2D Image | 4-[(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-3-chlorobenzonitrile | C12H7BrClN3O2

4-[(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-3-chlorobenzonitrile

  • Molecular FormulaC12H7BrClN3O2
  • Average mass340.560 Da
  • Monoisotopic mass338.941010 Da
  • ChemSpider ID48021627

More details:

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

4-[(5-Brom-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-3-chlorbenzonitril [German] [ACD/IUPAC Name]
4-[(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-3-chlorobenzonitrile [ACD/IUPAC Name]
4-[(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)méthyl]-3-chlorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(5-bromo-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-3-chloro- [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: 1.692
Molar Refractivity: 72.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.43
ACD/KOC (pH 5.5): 198.81
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.21
ACD/KOC (pH 7.4): 142.74
Polar Surface Area: 73 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 189.1±5.0 cm3

Click to predict properties on the Chemicalize site


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