ChemSpider 2D Image | [4-({[3,5-Bis(trifluoromethyl)benzoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]acetic acid | C14H10F6N4O3

[4-({[3,5-Bis(trifluoromethyl)benzoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]acetic acid

  • Molecular FormulaC14H10F6N4O3
  • Average mass396.245 Da
  • Monoisotopic mass396.065704 Da
  • ChemSpider ID54659981

More details:

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

[4-({[3,5-Bis(trifluormethyl)benzoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[4-({[3,5-Bis(trifluoromethyl)benzoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]acetic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-acetic acid, 4-[[[3,5-bis(trifluoromethyl)benzoyl]amino]methyl]- [ACD/Index Name]
Acide [4-({[3,5-bis(trifluorométhyl)benzoyl]amino}méthyl)-1H-1,2,3-triazol-1-yl]acétique [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.547
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.23
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 245.8±7.0 cm3

Click to predict properties on the Chemicalize site


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