ChemSpider 2D Image | 2-[(E)-(1,3-Benzothiazol-2-ylimino)methyl]-4-bromophenol | C14H9BrN2OS

2-[(E)-(1,3-Benzothiazol-2-ylimino)methyl]-4-bromophenol

  • Molecular FormulaC14H9BrN2OS
  • Average mass333.203 Da
  • Monoisotopic mass331.961884 Da
  • ChemSpider ID21825632

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-(1,3-Benzothiazol-2-ylimino)methyl]-4-bromophenol [ACD/IUPAC Name]
2-[(E)-(1,3-Benzothiazol-2-ylimino)méthyl]-4-bromophénol [French] [ACD/IUPAC Name]
2-[(E)-(1,3-Benzothiazol-2-ylimino)methyl]-4-bromphenol [German] [ACD/IUPAC Name]
Phenol, 2-[(E)-(2-benzothiazolylimino)methyl]-4-bromo- [ACD/Index Name]
17385-83-0 [RN]
2-[(1,3-benzothiazol-2-ylimino)methyl]-4-bromophenol [ACD/IUPAC Name]
2-{[(1,3-benzothiazol-2-yl)imino]methyl}-4-bromophenol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 483.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 246.4±31.5 °C
Index of Refraction: 1.723
Molar Refractivity: 81.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1944.53
ACD/KOC (pH 5.5): 7784.09
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 544.40
ACD/KOC (pH 7.4): 2179.26
Polar Surface Area: 74 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 206.2±7.0 cm3

Click to predict properties on the Chemicalize site


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