ChemSpider 2D Image | 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone | C12H13N3O

4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone

  • Molecular FormulaC12H13N3O
  • Average mass215.251 Da
  • Monoisotopic mass215.105865 Da
  • ChemSpider ID25058752

More details:






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

2-Butanone, 4-phenyl-1-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanon [German] [ACD/IUPAC Name]
4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone [ACD/IUPAC Name]
4-Phényl-1-(1H-1,2,4-triazol-1-yl)-2-butanone [French] [ACD/IUPAC Name]
4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
1092851-29-0 [RN]
1093058-26-4 [RN]
1-azolyl-4-phenyl-2-butanone, 7
4-Phenyl-1-[1,2,4]triazol-1-yl-butan-2-one
MFCD30145505

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 385.0±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.7±28.4 °C
Index of Refraction: 1.599
Molar Refractivity: 63.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.52
ACD/KOC (pH 5.5): 118.17
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.52
ACD/KOC (pH 7.4): 118.25
Polar Surface Area: 48 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 186.3±7.0 cm3

Click to predict properties on the Chemicalize site






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