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Search term: SISDCWIRNNXMFT-BHGWPJFGSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 2,4-Diiodo-6-[(E)-{[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol | C21H14I2N2O3

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

  • Molecular FormulaC21H14I2N2O3
  • Average mass596.156 Da
  • Monoisotopic mass595.909363 Da
  • ChemSpider ID21540575
  • Double-bond stereo - Double-bond stereo


More details:






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

2,4-Diiod-6-[(E)-{[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol [German] [ACD/IUPAC Name]
2,4-Diiodo-6-[(E)-{[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol [ACD/IUPAC Name]
2,4-Diiodo-6-[(E)-{[2-(2-méthoxyphényl)-1,3-benzoxazol-5-yl]imino}méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 2,4-diiodo-6-[(E)-[[2-(2-methoxyphenyl)-5-benzoxazolyl]imino]methyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 601.4±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: 317.5±31.5 °C
Index of Refraction: 1.730
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 16145.47
ACD/KOC (pH 5.5): 28802.06
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 1417.78
ACD/KOC (pH 7.4): 2529.19
Polar Surface Area: 68 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 310.5±7.0 cm3

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