ChemSpider 2D Image | 3-(4-Hydroxy-3-methoxyphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile | C18H11F3N2O2S

3-(4-Hydroxy-3-methoxyphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile

  • Molecular FormulaC18H11F3N2O2S
  • Average mass376.352 Da
  • Monoisotopic mass376.049347 Da
  • ChemSpider ID35439040

More details:

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

2-Benzothiazoleacetonitrile, α-[(4-hydroxy-3-methoxyphenyl)methylene]-5-(trifluoromethyl)- [ACD/Index Name]
3-(4-Hydroxy-3-methoxyphenyl)-2-[5-(trifluormethyl)-1,3-benzothiazol-2-yl]acrylonitril [German] [ACD/IUPAC Name]
3-(4-Hydroxy-3-methoxyphenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile [ACD/IUPAC Name]
3-(4-Hydroxy-3-méthoxyphényl)-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: 512.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 263.4±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1203.75
ACD/KOC (pH 5.5): 5579.67
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1174.73
ACD/KOC (pH 7.4): 5445.14
Polar Surface Area: 94 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 258.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement