ChemSpider 2D Image | 4-[2-Benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]-1,3-benzenediol | C21H15F3N2O2

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

  • Molecular FormulaC21H15F3N2O2
  • Average mass384.351 Da
  • Monoisotopic mass384.108551 Da
  • ChemSpider ID35033635

More details:






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

1,3-Benzenediol, 4-[2-(phenylmethyl)-7-(trifluoromethyl)-2H-indazol-3-yl]- [ACD/Index Name]
4-[2-Benzyl-7-(trifluormethyl)-2H-indazol-3-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-[2-Benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-[2-Benzyl-7-(trifluorométhyl)-2H-indazol-3-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
4-[2-Benzyl-7-(Trifluoromethyl)-2h-Indazol-3-Yl]benzene-1,3-Diol
1429059-07-3 [RN]
1GJ
4-(2-Benzyl-7-(trifluoromethyl)-2H-indazol-3-yl)benzene-1,3-diol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 316.7±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 98.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1023.94
ACD/KOC (pH 5.5): 4969.59
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1003.19
ACD/KOC (pH 7.4): 4868.90
Polar Surface Area: 58 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 280.6±7.0 cm3

Click to predict properties on the Chemicalize site






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