ChemSpider 2D Image | 1-(3,4-Difluorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-propanone | C13H12F2N2OS

1-(3,4-Difluorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-propanone

  • Molecular FormulaC13H12F2N2OS
  • Average mass282.309 Da
  • Monoisotopic mass282.063843 Da
  • ChemSpider ID26056401

More details:

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

1-(3,4-Difluorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-propanone [ACD/IUPAC Name]
1-(3,4-Difluorophényl)-2-[(1-méthyl-1H-imidazol-2-yl)sulfanyl]-1-propanone [French] [ACD/IUPAC Name]
1-(3,4-Difluorphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-(3,4-difluorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]- [ACD/Index Name]
1154952-67-6 [RN]
MFCD12740637

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

Density: 1.3±0.1 g/cm3
Boiling Point: 429.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.6±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 72.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 88.03
ACD/KOC (pH 5.5): 810.34
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 107.41
ACD/KOC (pH 7.4): 988.73
Polar Surface Area: 60 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 216.3±7.0 cm3

Click to predict properties on the Chemicalize site


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