ChemSpider 2D Image | 6'-Bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one | C12H14BrN3O

6'-Bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one

  • Molecular FormulaC12H14BrN3O
  • Average mass296.163 Da
  • Monoisotopic mass295.032013 Da
  • ChemSpider ID29360532

More details:

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

6'-Bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one [ACD/IUPAC Name]
Spiro[cyclohexane-1,2'(1'H)-pyrido[2,3-d]pyrimidin]-4'(3'H)-one, 6'-bromo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 543.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.3±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.49
ACD/KOC (pH 5.5): 1086.71
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.64
ACD/KOC (pH 7.4): 1088.03
Polar Surface Area: 54 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 185.8±5.0 cm3

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