ChemSpider 2D Image | (6-Chloro-7-methyl-2-oxo-2H-chromen-4-yl)methyl [5,7-dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate | C21H16ClF3N4O4

(6-Chloro-7-methyl-2-oxo-2H-chromen-4-yl)methyl [5,7-dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

  • Molecular FormulaC21H16ClF3N4O4
  • Average mass480.824 Da
  • Monoisotopic mass480.081207 Da
  • ChemSpider ID30605251

More details:

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

(6-Chlor-7-methyl-2-oxo-2H-chromen-4-yl)methyl-[5,7-dimethyl-2-(trifluormethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetat [German] [ACD/IUPAC Name]
(6-Chloro-7-methyl-2-oxo-2H-chromen-4-yl)methyl [5,7-dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate [ACD/IUPAC Name]
[1,2,4]Triazolo[1,5-a]pyrimidine-6-acetic acid, 5,7-dimethyl-2-(trifluoromethyl)-, (6-chloro-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl ester [ACD/Index Name]
[5,7-Diméthyl-2-(trifluorométhyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acétate de (6-chloro-7-méthyl-2-oxo-2H-chromén-4-yl)méthyle [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: 1.636
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 503.03
ACD/KOC (pH 5.5): 2988.17
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 503.03
ACD/KOC (pH 7.4): 2988.17
Polar Surface Area: 96 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 309.5±7.0 cm3

Click to predict properties on the Chemicalize site


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