ChemSpider 2D Image | 3-(3-Hydroxyphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile | C17H9F3N2OS

3-(3-Hydroxyphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile

  • Molecular FormulaC17H9F3N2OS
  • Average mass346.326 Da
  • Monoisotopic mass346.038757 Da
  • ChemSpider ID35439044

More details:

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

2-Benzothiazoleacetonitrile, α-[(3-hydroxyphenyl)methylene]-5-(trifluoromethyl)- [ACD/Index Name]
3-(3-Hydroxyphenyl)-2-[5-(trifluormethyl)-1,3-benzothiazol-2-yl]acrylonitril [German] [ACD/IUPAC Name]
3-(3-Hydroxyphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile [ACD/IUPAC Name]
3-(3-Hydroxyphényl)-2-[5-(trifluorométhyl)-1,3-benzothiazol-2-yl]acrylonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 506.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 260.4±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1014.25
ACD/KOC (pH 5.5): 4935.82
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 990.02
ACD/KOC (pH 7.4): 4817.92
Polar Surface Area: 85 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 234.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement