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Search term: CC(C)Cn1nc2c(cccc2c1-c1ccc(O)cc1O)C(F)(F)F (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-[2-Isobutyl-7-(trifluoromethyl)-2H-indazol-3-yl]-1,3-benzenediol | C18H17F3N2O2

4-[2-Isobutyl-7-(trifluoromethyl)-2H-indazol-3-yl]-1,3-benzenediol

  • Molecular FormulaC18H17F3N2O2
  • Average mass350.335 Da
  • Monoisotopic mass350.124207 Da
  • ChemSpider ID35033638

More details:

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

1,3-Benzenediol, 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]- [ACD/Index Name]
4-[2-(2-Methylpropyl)-7-(Trifluoromethyl)-2h-Indazol-3-Yl]benzene-1,3-Diol
4-[2-Isobutyl-7-(trifluormethyl)-2H-indazol-3-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-[2-Isobutyl-7-(trifluoromethyl)-2H-indazol-3-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-[2-Isobutyl-7-(trifluorométhyl)-2H-indazol-3-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
1429059-06-2 [RN]
1GS
4-(2-Isobutyl-7-(trifluoromethyl)-2H-indazol-3-yl)benzene-1,3-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 519.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 267.9±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 86.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 501.03
ACD/KOC (pH 5.5): 2979.38
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 488.89
ACD/KOC (pH 7.4): 2907.21
Polar Surface Area: 58 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 259.2±7.0 cm3

Click to predict properties on the Chemicalize site


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