ChemSpider 2D Image | 3-[(2,2-Dichloro-1,1-difluoroethyl)sulfanyl]-2-[(1-hydroxyvinyl)amino]-1-propene-1,1-diol | C7H9Cl2F2NO3S

3-[(2,2-Dichloro-1,1-difluoroethyl)sulfanyl]-2-[(1-hydroxyvinyl)amino]-1-propene-1,1-diol

  • Molecular FormulaC7H9Cl2F2NO3S
  • Average mass296.119 Da
  • Monoisotopic mass294.964813 Da
  • ChemSpider ID95721332

More details:

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

1-Propene-1,1-diol, 3-[(2,2-dichloro-1,1-difluoroethyl)thio]-2-[(1-hydroxyethenyl)amino]- [ACD/Index Name]
3-[(2,2-Dichlor-1,1-difluorethyl)sulfanyl]-2-[(1-hydroxyvinyl)amino]-1-propen-1,1-diol [German] [ACD/IUPAC Name]
3-[(2,2-Dichloro-1,1-difluoroethyl)sulfanyl]-2-[(1-hydroxyvinyl)amino]-1-propene-1,1-diol [ACD/IUPAC Name]
3-[(2,2-Dichloro-1,1-difluoroéthyl)sulfanyl]-2-[(1-hydroxyvinyl)amino]-1-propène-1,1-diol [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 466.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 235.7±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 59.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.30
ACD/KOC (pH 5.5): 347.82
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.83
ACD/KOC (pH 7.4): 355.12
Polar Surface Area: 98 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 181.6±3.0 cm3

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