ChemSpider 2D Image | Isoquinolin-4-yl(m-tolyl)methanone | C17H13NO

Isoquinolin-4-yl(m-tolyl)methanone

  • Molecular FormulaC17H13NO
  • Average mass247.291 Da
  • Monoisotopic mass247.099716 Da
  • ChemSpider ID27525396

More details:

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

1187165-88-3 [RN]
4-Isochinolinyl(3-methylphenyl)methanon [German] [ACD/IUPAC Name]
4-Isoquinoléinyl(3-méthylphényl)méthanone [French] [ACD/IUPAC Name]
4-Isoquinolinyl(3-methylphenyl)methanone [ACD/IUPAC Name]
Isoquinolin-4-yl(m-tolyl)methanone
Methanone, 4-isoquinolinyl(3-methylphenyl)- [ACD/Index Name]
4-(3-Methylbenzoyl)isoquinoline
isoquinolin-4-yl-(3-methylphenyl)methanone
MFCD13153013 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 227.8±31.4 °C
Index of Refraction: 1.648
Molar Refractivity: 76.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 348.22
ACD/KOC (pH 5.5): 2294.38
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.34
ACD/KOC (pH 7.4): 2301.74
Polar Surface Area: 30 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 211.2±3.0 cm3

Click to predict properties on the Chemicalize site


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