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ChemSpider 2D Image | 2-(1,3-Benzothiazol-2-yl)-4-[(E)-(3-bromobenzylidene)amino]phenol | C20H13BrN2OS

2-(1,3-Benzothiazol-2-yl)-4-[(E)-(3-bromobenzylidene)amino]phenol

  • Molecular FormulaC20H13BrN2OS
  • Average mass409.299 Da
  • Monoisotopic mass407.993195 Da
  • ChemSpider ID21537831
  • Double-bond stereo - Double-bond stereo


More details:






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

2-(1,3-Benzothiazol-2-yl)-4-[(E)-(3-brombenzyliden)amino]phenol [German] [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)-4-[(E)-(3-bromobenzylidene)amino]phenol [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)-4-[(E)-(3-bromobenzylidène)amino]phénol [French] [ACD/IUPAC Name]
Phenol, 2-(2-benzothiazolyl)-4-[[(1E)-(3-bromophenyl)methylene]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 611.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 323.5±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10685.31
ACD/KOC (pH 5.5): 26357.81
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 3390.46
ACD/KOC (pH 7.4): 8363.36
Polar Surface Area: 74 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 274.2±7.0 cm3

Click to predict properties on the Chemicalize site






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