ChemSpider 2D Image | 1-Oxo-1-(1H-1,2,4-triazol-3-ylamino)-2-propanyl 3,5-bis(trifluoromethyl)benzoate | C14H10F6N4O3

1-Oxo-1-(1H-1,2,4-triazol-3-ylamino)-2-propanyl 3,5-bis(trifluoromethyl)benzoate

  • Molecular FormulaC14H10F6N4O3
  • Average mass396.245 Da
  • Monoisotopic mass396.065704 Da
  • ChemSpider ID59875291

More details:

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

1-Oxo-1-(1H-1,2,4-triazol-3-ylamino)-2-propanyl 3,5-bis(trifluoromethyl)benzoate [ACD/IUPAC Name]
1-Oxo-1-(1H-1,2,4-triazol-3-ylamino)-2-propanyl-3,5-bis(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
3,5-Bis(trifluorométhyl)benzoate de 1-oxo-1-(1H-1,2,4-triazol-3-ylamino)-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(trifluoromethyl)-, 1-methyl-2-oxo-2-(1H-1,2,4-triazol-3-ylamino)ethyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.520
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 152.94
ACD/KOC (pH 5.5): 1274.13
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 152.61
ACD/KOC (pH 7.4): 1271.37
Polar Surface Area: 97 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 253.5±3.0 cm3

Click to predict properties on the Chemicalize site


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