ChemSpider 2D Image | 4-[4-(Allyloxy)-3-methoxyphenyl]-2-amino-3-cyano-4H-chromen-7-yl (4-bromophenoxy)acetate | C28H23BrN2O6

4-[4-(Allyloxy)-3-methoxyphenyl]-2-amino-3-cyano-4H-chromen-7-yl (4-bromophenoxy)acetate

  • Molecular FormulaC28H23BrN2O6
  • Average mass563.396 Da
  • Monoisotopic mass562.073914 Da
  • ChemSpider ID12012847

More details:

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

(4-Bromophénoxy)acétate de 4-[4-(allyloxy)-3-méthoxyphényl]-2-amino-3-cyano-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-methoxyphenyl]-2-amino-3-cyan-4H-chromen-7-yl-(4-bromphenoxy)acetat [German] [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-methoxyphenyl]-2-amino-3-cyano-4H-chromen-7-yl (4-bromophenoxy)acetate [ACD/IUPAC Name]
Acetic acid, 2-(4-bromophenoxy)-, 2-amino-3-cyano-4-[3-methoxy-4-(2-propen-1-yloxy)phenyl]-4H-1-benzopyran-7-yl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 718.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.5±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4311.97
ACD/KOC (pH 5.5): 13904.09
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4317.19
ACD/KOC (pH 7.4): 13920.93
Polar Surface Area: 113 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 377.4±5.0 cm3

Click to predict properties on the Chemicalize site


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