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Search term: JFZKDEZWGWSLCS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-[4-(Dimethylamino)phenyl]-7-(trifluoromethyl)-1,2,4-benzotriazin-3(2H)-one | C16H13F3N4O

2-[4-(Dimethylamino)phenyl]-7-(trifluoromethyl)-1,2,4-benzotriazin-3(2H)-one

  • Molecular FormulaC16H13F3N4O
  • Average mass334.296 Da
  • Monoisotopic mass334.104156 Da
  • ChemSpider ID26457794

More details:






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

1,2,4-Benzotriazin-3(2H)-one, 2-[4-(dimethylamino)phenyl]-7-(trifluoromethyl)- [ACD/Index Name]
2-[4-(Dimethylamino)phenyl]-7-(trifluormethyl)-1,2,4-benzotriazin-3(2H)-on [German] [ACD/IUPAC Name]
2-[4-(Dimethylamino)phenyl]-7-(trifluoromethyl)-1,2,4-benzotriazin-3(2H)-one [ACD/IUPAC Name]
2-[4-(Diméthylamino)phényl]-7-(trifluorométhyl)-1,2,4-benzotriazin-3(2H)-one [French] [ACD/IUPAC Name]
1,2,4-benzotriazin-3(2H)-one, 2-[4-(dimethylamino)phenyl]-7-(trifluoromethyl)
1338494-76-0 [RN]
2-(4-(Dimethylamino)phenyl)-7-(trifluoromethyl)benzo[e][1,2,4]triazin-3(2H)-one
2-[4-(dimethylamino)phenyl]-7-(trifluoromethyl)-1,2,4-benzotriazin-3-one
MFCD20441328 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 405.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.0±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 83.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 7.13
ACD/KOC (pH 5.5): 105.19
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 19.96
ACD/KOC (pH 7.4): 294.75
Polar Surface Area: 48 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 245.2±7.0 cm3

Click to predict properties on the Chemicalize site






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