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Search term: QVDWMUNEMKEXNZ-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 9-(4-Chlorobenzoyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid | C21H18ClNO4

9-(4-Chlorobenzoyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid

  • Molecular FormulaC21H18ClNO4
  • Average mass383.825 Da
  • Monoisotopic mass383.092438 Da
  • ChemSpider ID15573804

More details:






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

1H-Carbazole-3-carboxylic acid, 9-(4-chlorobenzoyl)-2,3,4,9-tetrahydro-6-methoxy- [ACD/Index Name]
9-(4-Chlorbenzoyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-carbonsäure [German] [ACD/IUPAC Name]
9-(4-Chlorobenzoyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 9-(4-chlorobenzoyl)-6-méthoxy-2,3,4,9-tétrahydro-1H-carbazole-3-carboxylique [French] [ACD/IUPAC Name]
10.1021/jm3017656

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 543.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.7±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 101.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 108.43
ACD/KOC (pH 5.5): 492.08
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 7.78
Polar Surface Area: 69 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 274.0±7.0 cm3

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