ChemSpider 2D Image | (3R)-3-(4-Hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one | C21H15N3O2

(3R)-3-(4-Hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one

  • Molecular FormulaC21H15N3O2
  • Average mass341.363 Da
  • Monoisotopic mass341.116425 Da
  • ChemSpider ID62406273

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(4-Hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-on [German] [ACD/IUPAC Name]
(3R)-3-(4-Hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one [ACD/IUPAC Name]
(3R)-3-(4-Hydroxyphényl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]indén-4(3H)-one [French] [ACD/IUPAC Name]
1,5,12-Triazabenzo[4,5]cyclooct[1,2,3-cd]inden-4(3H)-one, 1,5-dihydro-3-(4-hydroxyphenyl)-, (3R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.739
Molar Refractivity: 98.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 215.28
ACD/KOC (pH 5.5): 1610.51
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.33
ACD/KOC (pH 7.4): 1663.29
Polar Surface Area: 78 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 244.6±3.0 cm3

Click to predict properties on the Chemicalize site


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