ChemSpider 2D Image | 4-[1-Allyl-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-benzenediol | C17H13F3N2O2

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

  • Molecular FormulaC17H13F3N2O2
  • Average mass334.293 Da
  • Monoisotopic mass334.092926 Da
  • ChemSpider ID23281343

More details:






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

1,3-Benzenediol, 4-[1-(2-propen-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]- [ACD/Index Name]
4-[1-(prop-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
4-[1-Allyl-7-(trifluormethyl)-1H-indazol-3-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-[1-Allyl-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-[1-Allyl-7-(trifluorométhyl)-1H-indazol-3-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
1,3-BENZENEDIOL, 4-[1-(2-PROPENYL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]-
4-(1-Allyl-7-(trifluoromethyl)-1H-indazol-3-yl)benzene-1,3-diol
4-[1-(prop-2-en-1-yl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
669764-18-5 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 497.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 254.4±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 430.11
ACD/KOC (pH 5.5): 2669.17
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 352.56
ACD/KOC (pH 7.4): 2187.90
Polar Surface Area: 58 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 244.0±7.0 cm3

Click to predict properties on the Chemicalize site






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