ChemSpider 2D Image | 4-Methyl-2-nitro-6-{[(2-phenyl-1,3-benzoxazol-5-yl)imino]methyl}phenol | C21H15N3O4

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

  • Molecular FormulaC21H15N3O4
  • Average mass373.362 Da
  • Monoisotopic mass373.106262 Da
  • ChemSpider ID35384960

More details:

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

4-Methyl-2-nitro-6-{[(2-phenyl-1,3-benzoxazol-5-yl)imino]methyl}phenol [German] [ACD/IUPAC Name]
4-Methyl-2-nitro-6-{[(2-phenyl-1,3-benzoxazol-5-yl)imino]methyl}phenol [ACD/IUPAC Name]
4-Méthyl-2-nitro-6-{[(2-phényl-1,3-benzoxazol-5-yl)imino]méthyl}phénol [French] [ACD/IUPAC Name]
Phenol, 4-methyl-2-nitro-6-[[(2-phenyl-5-benzoxazolyl)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: 535.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 277.5±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: 5.75
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 370.75
ACD/KOC (pH 5.5): 1438.54
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 16.63
ACD/KOC (pH 7.4): 64.51
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


Advertisement