ChemSpider 2D Image | trans-4-(6,8-Dibromo-1,4-dihydro-3(2H)-quinazolinyl)cyclohexanol | C14H18Br2N2O

trans-4-(6,8-Dibromo-1,4-dihydro-3(2H)-quinazolinyl)cyclohexanol

  • Molecular FormulaC14H18Br2N2O
  • Average mass390.113 Da
  • Monoisotopic mass387.978577 Da
  • ChemSpider ID29273442

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

18683-95-9 [RN]
Cyclohexanol, 4-(6,8-dibromo-1,4-dihydro-3(2H)-quinazolinyl)-, trans- [ACD/Index Name]
trans-4-(6,8-Dibrom-1,4-dihydro-3(2H)-chinazolinyl)cyclohexanol [German] [ACD/IUPAC Name]
trans-4-(6,8-Dibromo-1,4-dihydro-3(2H)-quinazolinyl)cyclohexanol [ACD/IUPAC Name]
trans-4-(6,8-Dibromo-1,4-dihydro-3(2H)-quinazolinyl)cyclohexanol [French] [ACD/IUPAC Name]
(1R,4R)-4-(6,8-dibromo-1,2-dihydroquinazolin-3(4H)-yl)cyclohexanol
MFCD19704891
TRANS4-(6,8 DIBROMO 1,4 DIHYDROQUINOLIN-3(2H)-YL)CYCLOHEXANOL

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

Density: 1.7±0.1 g/cm3
Boiling Point: 470.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.3±28.7 °C
Index of Refraction: 1.636
Molar Refractivity: 83.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 19.30
ACD/KOC (pH 5.5): 187.57
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.07
ACD/KOC (pH 7.4): 826.87
Polar Surface Area: 36 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 232.8±3.0 cm3

Click to predict properties on the Chemicalize site


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