ChemSpider 2D Image | 2-{[2-Chloro-4-(methylsulfonyl)phenyl](hydroxy)methylene}-1,3-cyclohexanedione | C14H13ClO5S

2-{[2-Chloro-4-(methylsulfonyl)phenyl](hydroxy)methylene}-1,3-cyclohexanedione

  • Molecular FormulaC14H13ClO5S
  • Average mass328.768 Da
  • Monoisotopic mass328.017212 Da
  • ChemSpider ID23164115

More details:

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

1,3-Cyclohexanedione, 2-[[2-chloro-4-(methylsulfonyl)phenyl]hydroxymethylene]- [ACD/Index Name]
2-{[2-Chlor-4-(methylsulfonyl)phenyl](hydroxy)methylen}-1,3-cyclohexandion [German] [ACD/IUPAC Name]
2-{[2-Chloro-4-(methylsulfonyl)phenyl](hydroxy)methylene}-1,3-cyclohexanedione [ACD/IUPAC Name]
2-{[2-Chloro-4-(méthylsulfonyl)phényl](hydroxy)méthylène}-1,3-cyclohexanedione [French] [ACD/IUPAC Name]
2-{[2-chloro-4-(methylsulfonyl)phenyl](hydroxy)methylidene}cyclohexane-1,3-dione
2-(2-Chloro-4-methanesulfonyl-benzoyl)-3-hydroxy-cyclohex-2-enone
2-[(2-chloro-4-methanesulfonylphenyl)(hydroxy)methylidene]cyclohexane-1,3-dione
99105-77-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.1±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.86
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 221.8±3.0 cm3

Click to predict properties on the Chemicalize site


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