ChemSpider 2D Image | 2-({[4-(6-Methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol | C21H15N3O4

2-({[4-(6-Methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol

  • Molecular FormulaC21H15N3O4
  • Average mass373.362 Da
  • Monoisotopic mass373.106262 Da
  • ChemSpider ID35253941

More details:

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

2-({[4-(6-Methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol [German] [ACD/IUPAC Name]
2-({[4-(6-Methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol [ACD/IUPAC Name]
2-({[4-(6-Méthyl-1,3-benzoxazol-2-yl)phényl]imino}méthyl)-6-nitrophénol [French] [ACD/IUPAC Name]
Phenol, 2-[[[4-(6-methyl-2-benzoxazolyl)phenyl]imino]methyl]-6-nitro- [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: 528.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 273.4±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: 6.12
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1251.91
ACD/KOC (pH 5.5): 3805.36
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 24.26
ACD/KOC (pH 7.4): 73.75
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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