Found 1 result

Search term: NGGOOXNLFCSRRF-BRJLIKDPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(E)-{[3-(1,3-Benzoxazol-2-yl)-4-chlorophenyl]imino}methyl]-4-bromo-6-ethoxyphenol | C22H16BrClN2O3

2-[(E)-{[3-(1,3-Benzoxazol-2-yl)-4-chlorophenyl]imino}methyl]-4-bromo-6-ethoxyphenol

  • Molecular FormulaC22H16BrClN2O3
  • Average mass471.731 Da
  • Monoisotopic mass470.003265 Da
  • ChemSpider ID21538009

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-{[3-(1,3-Benzoxazol-2-yl)-4-chlorophenyl]imino}methyl]-4-bromo-6-ethoxyphenol [ACD/IUPAC Name]
2-[(E)-{[3-(1,3-Benzoxazol-2-yl)-4-chlorophényl]imino}méthyl]-4-bromo-6-éthoxyphénol [French] [ACD/IUPAC Name]
2-[(E)-{[3-(1,3-Benzoxazol-2-yl)-4-chlorphenyl]imino}methyl]-4-brom-6-ethoxyphenol [German] [ACD/IUPAC Name]
Phenol, 2-[(E)-[[3-(2-benzoxazolyl)-4-chlorophenyl]imino]methyl]-4-bromo-6-ethoxy- [ACD/Index 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: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 30970.02
ACD/KOC (pH 5.5): 56938.42
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 20714.08
ACD/KOC (pH 7.4): 38082.86
Polar Surface Area: 68 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 313.2±7.0 cm3

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