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Search term: YTDGIHJQUMBTMY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-{3-[(3-Chlorophenyl)amino]propanoyl}-2H-chromen-2-one | C18H14ClNO3

3-{3-[(3-Chlorophenyl)amino]propanoyl}-2H-chromen-2-one

  • Molecular FormulaC18H14ClNO3
  • Average mass327.762 Da
  • Monoisotopic mass327.066223 Da
  • ChemSpider ID21762934

More details:

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

2H-1-Benzopyran-2-one, 3-[3-[(3-chlorophenyl)amino]-1-oxopropyl]- [ACD/Index Name]
3-{3-[(3-Chlorophenyl)amino]propanoyl}-2H-chromen-2-one [ACD/IUPAC Name]
3-{3-[(3-Chlorophényl)amino]propanoyl}-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-{3-[(3-Chlorphenyl)amino]propanoyl}-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-{3-[(3-chlorophenyl)amino]propanoyl}chromen-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.2±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 467.92
ACD/KOC (pH 5.5): 2830.94
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 471.60
ACD/KOC (pH 7.4): 2853.21
Polar Surface Area: 55 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 238.6±3.0 cm3

Click to predict properties on the Chemicalize site


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