ChemSpider 2D Image | 2-({[3-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl)-4-bromophenol | C20H13BrN2OS

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

  • Molecular FormulaC20H13BrN2OS
  • Average mass409.299 Da
  • Monoisotopic mass407.993195 Da
  • ChemSpider ID35400517

More details:

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

2-({[3-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl)-4-bromophenol [ACD/IUPAC Name]
2-({[3-(1,3-Benzothiazol-2-yl)phényl]imino}méthyl)-4-bromophénol [French] [ACD/IUPAC Name]
2-({[3-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl)-4-bromphenol [German] [ACD/IUPAC Name]
Phenol, 2-[[[3-(2-benzothiazolyl)phenyl]imino]methyl]-4-bromo- [ACD/Index 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: 593.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 312.7±32.9 °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): 5.81
ACD/BCF (pH 5.5): 15314.17
ACD/KOC (pH 5.5): 34340.05
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 8106.54
ACD/KOC (pH 7.4): 18177.87
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

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