ChemSpider 2D Image | (3Z)-3-(1,3-Benzothiazol-2-yl)-4-(2,5-difluorophenyl)-3-butenoic acid | C17H11F2NO2S

(3Z)-3-(1,3-Benzothiazol-2-yl)-4-(2,5-difluorophenyl)-3-butenoic acid

  • Molecular FormulaC17H11F2NO2S
  • Average mass331.336 Da
  • Monoisotopic mass331.047852 Da
  • ChemSpider ID30724924

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-(1,3-Benzothiazol-2-yl)-4-(2,5-difluorophenyl)-3-butenoic acid [ACD/IUPAC Name]
(3Z)-3-(1,3-Benzothiazol-2-yl)-4-(2,5-difluorphenyl)-3-butensäure [German] [ACD/IUPAC Name]
2-Benzothiazolepropanoic acid, β-[(2,5-difluorophenyl)methylene]-, (βZ)- [ACD/Index Name]
Acide (3Z)-3-(1,3-benzothiazol-2-yl)-4-(2,5-difluorophényl)-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 499.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 256.1±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 14.78
ACD/KOC (pH 5.5): 69.60
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 78 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 228.9±3.0 cm3

Click to predict properties on the Chemicalize site


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