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Search term: XPJMWMPOVUXNKK-WSDLNYQXSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 2-[(E)-{[5-(1,3-Benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-4-nitrophenol | C21H15N3O4

2-[(E)-{[5-(1,3-Benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-4-nitrophenol

  • Molecular FormulaC21H15N3O4
  • Average mass373.362 Da
  • Monoisotopic mass373.106262 Da
  • ChemSpider ID22824606
  • Double-bond stereo - Double-bond stereo


More details:






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

2-[(E)-{[5-(1,3-Benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-4-nitrophenol [ACD/IUPAC Name]
2-[(E)-{[5-(1,3-Benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-4-nitrophenol [German] [ACD/IUPAC Name]
2-[(E)-{[5-(1,3-Benzoxazol-2-yl)-2-méthylphényl]imino}méthyl]-4-nitrophénol [French] [ACD/IUPAC Name]
Phenol, 2-[(E)-[[5-(2-benzoxazolyl)-2-methylphenyl]imino]methyl]-4-nitro- [ACD/Index Name]
2-({[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl)-4-nitrophenol [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 579.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 304.5±30.1 °C
Index of Refraction: 1.675
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 2638.36
ACD/KOC (pH 5.5): 8117.94
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 71.71
ACD/KOC (pH 7.4): 220.65
Polar Surface Area: 104 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 274.1±7.0 cm3

Click to predict properties on the Chemicalize site






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