Found 20 results

Search term: C12H9F2N5O2S (Found by molecular formula)
ChemSpider 2D Image | 3-({[1-(2,4-Difluorophenyl)-1H-pyrazol-3-yl]methyl}sulfonyl)-4H-1,2,4-triazole | C12H9F2N5O2S

3-({[1-(2,4-Difluorophenyl)-1H-pyrazol-3-yl]methyl}sulfonyl)-4H-1,2,4-triazole

  • Molecular FormulaC12H9F2N5O2S
  • Average mass325.294 Da
  • Monoisotopic mass325.044495 Da
  • ChemSpider ID114893000

More details:

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

3-({[1-(2,4-Difluorophenyl)-1H-pyrazol-3-yl]methyl}sulfonyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
3-({[1-(2,4-Difluorophényl)-1H-pyrazol-3-yl]méthyl}sulfonyl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-({[1-(2,4-Difluorphenyl)-1H-pyrazol-3-yl]methyl}sulfonyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[[[1-(2,4-difluorophenyl)-1H-pyrazol-3-yl]methyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 555.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.7±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 75.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.65
ACD/KOC (pH 5.5): 99.35
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.12
Polar Surface Area: 102 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 196.0±7.0 cm3

Click to predict properties on the Chemicalize site


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