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Search term: IWJWDBNSECYUQW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-(1,3-Benzoxazol-2-yl)-2,2,2-trifluoro-1,1-ethanediol | C9H6F3NO3

1-(1,3-Benzoxazol-2-yl)-2,2,2-trifluoro-1,1-ethanediol

  • Molecular FormulaC9H6F3NO3
  • Average mass233.144 Da
  • Monoisotopic mass233.029984 Da
  • ChemSpider ID62222181

More details:






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

1-(1,3-Benzoxazol-2-yl)-2,2,2-trifluor-1,1-ethandiol [German] [ACD/IUPAC Name]
1-(1,3-Benzoxazol-2-yl)-2,2,2-trifluoro-1,1-ethanediol [ACD/IUPAC Name]
1-(1,3-Benzoxazol-2-yl)-2,2,2-trifluoro-1,1-éthanediol [French] [ACD/IUPAC Name]
1,1-Ethanediol, 1-(2-benzoxazolyl)-2,2,2-trifluoro- [ACD/Index Name]
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethane-1,1-diol
1033591-98-8 [RN]
CHEMHERE CHEM96411
MFCD28676131

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

Density: 1.6±0.1 g/cm3
Boiling Point: 321.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 148.4±27.9 °C
Index of Refraction: 1.565
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.34
ACD/KOC (pH 5.5): 605.37
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 27.19
ACD/KOC (pH 7.4): 302.95
Polar Surface Area: 66 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 144.6±3.0 cm3

Click to predict properties on the Chemicalize site






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