ChemSpider 2D Image | 2-(6-Methyl-1,3-benzoxazol-2-yl)-4-{(E)-[(2E)-3-(4-nitrophenyl)-2-propen-1-ylidene]amino}phenol | C23H17N3O4

2-(6-Methyl-1,3-benzoxazol-2-yl)-4-{(E)-[(2E)-3-(4-nitrophenyl)-2-propen-1-ylidene]amino}phenol

  • Molecular FormulaC23H17N3O4
  • Average mass399.399 Da
  • Monoisotopic mass399.121918 Da
  • ChemSpider ID31011881

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(6-Methyl-1,3-benzoxazol-2-yl)-4-{(E)-[(2E)-3-(4-nitrophenyl)-2-propen-1-yliden]amino}phenol [German] [ACD/IUPAC Name]
2-(6-Methyl-1,3-benzoxazol-2-yl)-4-{(E)-[(2E)-3-(4-nitrophenyl)-2-propen-1-ylidene]amino}phenol [ACD/IUPAC Name]
2-(6-Méthyl-1,3-benzoxazol-2-yl)-4-{(E)-[(2E)-3-(4-nitrophényl)-2-propén-1-ylidène]amino}phénol [French] [ACD/IUPAC Name]
Phenol, 2-(6-methyl-2-benzoxazolyl)-4-[[(1E,2E)-3-(4-nitrophenyl)-2-propen-1-ylidene]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 599.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 316.4±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 112.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5786.78
ACD/KOC (pH 5.5): 17164.25
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5518.42
ACD/KOC (pH 7.4): 16368.26
Polar Surface Area: 104 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 306.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement