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Search term: Oc1ccc(-c2nn(CCC=C)c3c(cccc23)C(F)(F)F)c(O)c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-[1-(3-Buten-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-benzenediol | C18H15F3N2O2

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

  • Molecular FormulaC18H15F3N2O2
  • Average mass348.319 Da
  • Monoisotopic mass348.108551 Da
  • ChemSpider ID24747120

More details:

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

1,3-Benzenediol, 4-[1-(3-buten-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]- [ACD/Index Name]
4-[1-(3-Buten-1-yl)-7-(trifluormethyl)-1H-indazol-3-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-[1-(3-Buten-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-[1-(3-Butén-1-yl)-7-(trifluorométhyl)-1H-indazol-3-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
4-[1-(But-3-En-1-Yl)-7-(Trifluoromethyl)-1h-Indazol-3-Yl]benzene-1,3-Diol
1255706-38-7 [RN]
4-(1-(But-3-enyl)-7-(trifluoromethyl)-1H-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: 505.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 259.5±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: 3.85
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 712.23
ACD/KOC (pH 5.5): 3829.38
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 573.86
ACD/KOC (pH 7.4): 3085.42
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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