ChemSpider 2D Image | (-)-coumachlor | C19H15ClO4

(-)-coumachlor

  • Molecular FormulaC19H15ClO4
  • Average mass342.773 Da
  • Monoisotopic mass342.065887 Da
  • ChemSpider ID21221461

More details:






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

(-)-coumachlor
2H-1-Benzopyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy- [ACD/Index Name]
3-[(1S)-1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-one
3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-one [ACD/IUPAC Name]
3-[1-(4-Chlorophényl)-3-oxobutyl]-4-hydroxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-[1-(4-Chlorphenyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
70888-76-5 [RN]
81-82-3 [RN]
Coumachlor [BSI] [ISO] [Wiki]
COUMACHLOR, (-)-

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

479TYR2D1I [DBID]
UNII:479TYR2D1I [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.3±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 30.07
ACD/KOC (pH 5.5): 201.42
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.47
Polar Surface Area: 64 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 247.7±3.0 cm3

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