ChemSpider 2D Image | BQU57 | C16H13F3N4O

BQU57

  • Molecular FormulaC16H13F3N4O
  • Average mass334.296 Da
  • Monoisotopic mass334.104156 Da
  • ChemSpider ID32821771

More details:






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

1637739-82-2 [RN]
6-Amino-1,3-dimethyl-4-[4-(trifluormethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
6-Amino-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
6-Amino-1,3-diméthyl-4-[4-(trifluorométhyl)phényl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
BQU57
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
[1637739-82-2]
6-amino-1,3-dimethyl-4-(4-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 493.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.2±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 80.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.14
ACD/KOC (pH 5.5): 1007.01
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.33
ACD/KOC (pH 7.4): 1008.72
Polar Surface Area: 77 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 232.5±7.0 cm3

Click to predict properties on the Chemicalize site






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