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Search term: VLJHYAFWURDJCG-WSDLNYQXSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 2-[(E)-{[3-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl]-4-chlorophenol | C20H13ClN2OS

2-[(E)-{[3-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl]-4-chlorophenol

  • Molecular FormulaC20H13ClN2OS
  • Average mass364.848 Da
  • Monoisotopic mass364.043701 Da
  • ChemSpider ID21537632
  • Double-bond stereo - Double-bond stereo


More details:






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

2-[(E)-{[3-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl]-4-chlorophenol [ACD/IUPAC Name]
2-[(E)-{[3-(1,3-Benzothiazol-2-yl)phényl]imino}méthyl]-4-chlorophénol [French] [ACD/IUPAC Name]
2-[(E)-{[3-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl]-4-chlorphenol [German] [ACD/IUPAC Name]
Phenol, 2-[(E)-[[3-(2-benzothiazolyl)phenyl]imino]methyl]-4-chloro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 308.4±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18760.93
ACD/KOC (pH 5.5): 39785.71
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 13601.37
ACD/KOC (pH 7.4): 28843.99
Polar Surface Area: 74 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 271.0±7.0 cm3

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