ChemSpider 2D Image | 3-Chloro-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propanesulfonamide | C7H13ClN4O2S

3-Chloro-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propanesulfonamide

  • Molecular FormulaC7H13ClN4O2S
  • Average mass252.722 Da
  • Monoisotopic mass252.044769 Da
  • ChemSpider ID56815628

More details:

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

1-Propanesulfonamide, 3-chloro-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]
3-Chlor-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propansulfonamid [German] [ACD/IUPAC Name]
3-Chloro-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propanesulfonamide [ACD/IUPAC Name]
3-Chloro-N-[(1-méthyl-1H-1,2,4-triazol-3-yl)méthyl]-1-propanesulfonamide [French] [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: 453.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.1±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 59.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.09
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.96
Polar Surface Area: 85 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 170.5±7.0 cm3

Click to predict properties on the Chemicalize site


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