Found 42 results

Search term: MF = 'C_{9}H_{13}ClN_{6}O_{2}S'
ChemSpider 2D Image | 2-{4-[(4-Chloro-1H-pyrazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-N-methylethanesulfonamide | C9H13ClN6O2S

2-{4-[(4-Chloro-1H-pyrazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-N-methylethanesulfonamide

  • Molecular FormulaC9H13ClN6O2S
  • Average mass304.757 Da
  • Monoisotopic mass304.050934 Da
  • ChemSpider ID84417401

More details:

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

1H-1,2,3-Triazole-1-ethanesulfonamide, 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-methyl- [ACD/Index Name]
2-{4-[(4-Chlor-1H-pyrazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-N-methylethansulfonamid [German] [ACD/IUPAC Name]
2-{4-[(4-Chloro-1H-pyrazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-N-methylethanesulfonamide [ACD/IUPAC Name]
2-{4-[(4-Chloro-1H-pyrazol-1-yl)méthyl]-1H-1,2,3-triazol-1-yl}-N-méthyléthanesulfonamide [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: 542.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 281.9±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 73.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.47
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.46
Polar Surface Area: 103 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 189.7±7.0 cm3

Click to predict properties on the Chemicalize site


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