ChemSpider 2D Image | 2-[(4-Chlorophenyl)sulfonyl]-3-(3,4-dihydroxy-5-methoxyphenyl)acrylonitrile | C16H12ClNO5S

2-[(4-Chlorophenyl)sulfonyl]-3-(3,4-dihydroxy-5-methoxyphenyl)acrylonitrile

  • Molecular FormulaC16H12ClNO5S
  • Average mass365.788 Da
  • Monoisotopic mass365.012482 Da
  • ChemSpider ID30636550

More details:

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

2-[(4-Chlorophenyl)sulfonyl]-3-(3,4-dihydroxy-5-methoxyphenyl)acrylonitrile [ACD/IUPAC Name]
2-[(4-Chlorophényl)sulfonyl]-3-(3,4-dihydroxy-5-méthoxyphényl)acrylonitrile [French] [ACD/IUPAC Name]
2-[(4-Chlorphenyl)sulfonyl]-3-(3,4-dihydroxy-5-methoxyphenyl)acrylonitril [German] [ACD/IUPAC Name]
2-Propenenitrile, 2-[(4-chlorophenyl)sulfonyl]-3-(3,4-dihydroxy-5-methoxyphenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.96
ACD/KOC (pH 5.5): 579.89
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 43.31
ACD/KOC (pH 7.4): 492.90
Polar Surface Area: 116 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 242.6±3.0 cm3

Click to predict properties on the Chemicalize site


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