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Search term: USQUYJHWQMXRNV-WSDLNYQXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(E)-{[2-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl]-4-bromophenol | C20H13BrN2OS

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

  • Molecular FormulaC20H13BrN2OS
  • Average mass409.299 Da
  • Monoisotopic mass407.993195 Da
  • ChemSpider ID22824873

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-{[2-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl]-4-bromophenol [ACD/IUPAC Name]
2-[(E)-{[2-(1,3-Benzothiazol-2-yl)phényl]imino}méthyl]-4-bromophénol [French] [ACD/IUPAC Name]
2-[(E)-{[2-(1,3-Benzothiazol-2-yl)phenyl]imino}methyl]-4-bromphenol [German] [ACD/IUPAC Name]
Phenol, 2-[(E)-[[2-(2-benzothiazolyl)phenyl]imino]methyl]-4-bromo- [ACD/Index Name]
2-({[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4-bromophenol [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: 603.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 318.6±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: 7.15
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40322.76
ACD/KOC (pH 5.5): 68757.23
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 25865.69
ACD/KOC (pH 7.4): 44105.44
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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