Found 60 results

Search term: MF = 'C_{13}H_{13}F_{4}NO_{3}S'
ChemSpider 2D Image | (1,1-Dioxido-1,4-thiazepan-4-yl)[4-fluoro-3-(trifluoromethyl)phenyl]methanone | C13H13F4NO3S

(1,1-Dioxido-1,4-thiazepan-4-yl)[4-fluoro-3-(trifluoromethyl)phenyl]methanone

  • Molecular FormulaC13H13F4NO3S
  • Average mass339.306 Da
  • Monoisotopic mass339.055237 Da
  • ChemSpider ID30377719

More details:

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

(1,1-Dioxido-1,4-thiazepan-4-yl)[4-fluor-3-(trifluormethyl)phenyl]methanon [German] [ACD/IUPAC Name]
(1,1-Dioxido-1,4-thiazepan-4-yl)[4-fluoro-3-(trifluoromethyl)phenyl]methanone [ACD/IUPAC Name]
(1,1-Dioxydo-1,4-thiazépan-4-yl)[4-fluoro-3-(trifluorométhyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-fluoro-3-(trifluoromethyl)phenyl](tetrahydro-1,1-dioxido-1,4-thiazepin-4(5H)-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 514.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.8±30.1 °C
Index of Refraction: 1.507
Molar Refractivity: 70.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.91
ACD/KOC (pH 5.5): 92.34
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 92.34
Polar Surface Area: 63 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 236.6±3.0 cm3

Click to predict properties on the Chemicalize site


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