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Search term: AZIFYQDMFJNOQK-UAZDYKOFSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 2-(1,3-Benzothiazol-2-yl)-4-{(E)-[(2E)-3-(3-bromophenyl)-2-propen-1-ylidene]amino}phenol | C22H15BrN2OS

2-(1,3-Benzothiazol-2-yl)-4-{(E)-[(2E)-3-(3-bromophenyl)-2-propen-1-ylidene]amino}phenol

  • Molecular FormulaC22H15BrN2OS
  • Average mass435.336 Da
  • Monoisotopic mass434.008850 Da
  • ChemSpider ID17736717
  • 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)-[(2E)-3-(3-bromophenyl)-2-propen-1-ylidene]amino}phenol [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)-4-{(E)-[(2E)-3-(3-bromophényl)-2-propén-1-ylidène]amino}phénol [French] [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)-4-{(E)-[(2E)-3-(3-bromphenyl)-2-propen-1-yliden]amino}phenol [German] [ACD/IUPAC Name]
Phenol, 2-(2-benzothiazolyl)-4-[[(1E,2E)-3-(3-bromophenyl)-2-propen-1-ylidene]amino]- [ACD/Index Name]
4-[(1E,3E)-4-(3-bromophenyl)-1-azabuta-1,3-dienyl]-2-benzothiazol-2-ylphenol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 636.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 338.9±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23769.83
ACD/KOC (pH 5.5): 47169.24
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 21813.99
ACD/KOC (pH 7.4): 43288.03
Polar Surface Area: 74 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 306.3±7.0 cm3

Click to predict properties on the Chemicalize site






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