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Search term: CRMMTCNCRHOWRJ-WYMPLXKRSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 3-Bromo-6-methoxy-2-[(E)-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl]phenol | C22H17BrN2O2S

3-Bromo-6-methoxy-2-[(E)-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl]phenol

  • Molecular FormulaC22H17BrN2O2S
  • Average mass453.352 Da
  • Monoisotopic mass452.019409 Da
  • ChemSpider ID21538359
  • Double-bond stereo - Double-bond stereo


More details:






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

3-Brom-6-methoxy-2-[(E)-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl]phenol [German] [ACD/IUPAC Name]
3-Bromo-6-methoxy-2-[(E)-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl]phenol [ACD/IUPAC Name]
3-Bromo-6-méthoxy-2-[(E)-{[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]imino}méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-bromo-6-methoxy-2-[(E)-[[4-(6-methyl-2-benzothiazolyl)phenyl]imino]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 611.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 323.5±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25541.29
ACD/KOC (pH 5.5): 49413.41
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 10194.62
ACD/KOC (pH 7.4): 19723.00
Polar Surface Area: 83 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 311.1±7.0 cm3

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