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Search term: XGSXFNAQDLYQFS-WYMPLXKRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Bromo-2-methoxy-6-[(E)-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol | C22H17BrN2O3

4-Bromo-2-methoxy-6-[(E)-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol

  • Molecular FormulaC22H17BrN2O3
  • Average mass437.286 Da
  • Monoisotopic mass436.042236 Da
  • ChemSpider ID21538143

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Brom-2-methoxy-6-[(E)-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol [German] [ACD/IUPAC Name]
4-Bromo-2-methoxy-6-[(E)-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol [ACD/IUPAC Name]
4-Bromo-2-méthoxy-6-[(E)-{[3-(5-méthyl-1,3-benzoxazol-2-yl)phényl]imino}méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-bromo-2-methoxy-6-[(E)-[[3-(5-methyl-2-benzoxazolyl)phenyl]imino]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 573.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 300.7±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19277.40
ACD/KOC (pH 5.5): 40535.12
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 12779.77
ACD/KOC (pH 7.4): 26872.37
Polar Surface Area: 68 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 303.0±7.0 cm3

Click to predict properties on the Chemicalize site


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