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Search term: Oc1ccc(-c2n(CCC=C)nc3c(cccc23)C(F)(F)F)c(O)c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-[2-(3-Buten-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]-1,3-benzenediol | C18H15F3N2O2

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

  • Molecular FormulaC18H15F3N2O2
  • Average mass348.319 Da
  • Monoisotopic mass348.108551 Da
  • ChemSpider ID35033639

More details:

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

1,3-Benzenediol, 4-[2-(3-buten-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]- [ACD/Index Name]
4-[2-(3-Buten-1-yl)-7-(trifluormethyl)-2H-indazol-3-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-[2-(3-Buten-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-[2-(3-Butén-1-yl)-7-(trifluorométhyl)-2H-indazol-3-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
4-[2-(But-3-En-1-Yl)-7-(Trifluoromethyl)-2h-Indazol-3-Yl]benzene-1,3-Diol
1429059-08-4 [RN]
4-(2-(But-3-enyl)-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: 1.3±0.1 g/cm3
Boiling Point: 525.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 271.9±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 617.67
ACD/KOC (pH 5.5): 3460.90
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 602.66
ACD/KOC (pH 7.4): 3376.75
Polar Surface Area: 58 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 260.0±7.0 cm3

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