Found 144 results

Search term: MF = 'C_{11}H_{12}ClF_{3}N_{2}O_{2}S'
ChemSpider 2D Image | 4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazepane 1,1-dioxide | C11H12ClF3N2O2S

4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazepane 1,1-dioxide

  • Molecular FormulaC11H12ClF3N2O2S
  • Average mass328.738 Da
  • Monoisotopic mass328.026001 Da
  • ChemSpider ID30234962

More details:

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

1,1-Dioxyde de 4-[3-chloro-5-(trifluorométhyl)-2-pyridinyl]-1,4-thiazépane [French] [ACD/IUPAC Name]
1,4-Thiazepine, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-, 1,1-dioxide [ACD/Index Name]
4-[3-Chlor-5-(trifluormethyl)-2-pyridinyl]-1,4-thiazepan-1,1-dioxid [German] [ACD/IUPAC Name]
4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazepane 1,1-dioxide [ACD/IUPAC 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: 473.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 240.0±28.7 °C
Index of Refraction: 1.519
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.37
ACD/KOC (pH 5.5): 574.67
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.62
ACD/KOC (pH 7.4): 577.47
Polar Surface Area: 59 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 224.7±3.0 cm3

Click to predict properties on the Chemicalize site


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