ChemSpider 2D Image | 4-[(E)-(2-Chlorophenyl)diazenyl]-2-[(Z)-{[1,3-dihydroxy-2-(hydroxymethyl)-2-propanyl]iminio}methyl]-6-methoxyphenolate | C18H20ClN3O5

4-[(E)-(2-Chlorophenyl)diazenyl]-2-[(Z)-{[1,3-dihydroxy-2-(hydroxymethyl)-2-propanyl]iminio}methyl]-6-methoxyphenolate

  • Molecular FormulaC18H20ClN3O5
  • Average mass393.822 Da
  • Monoisotopic mass393.109161 Da
  • ChemSpider ID30652381

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Propanediol, 2-[[(1Z)-[5-[(E)-2-(2-chlorophenyl)diazenyl]-2-hydroxy-3-methoxyphenyl]methylene]amino]-2-(hydroxymethyl)- [ACD/Index Name]
4-[(E)-(2-Chlorophenyl)diazenyl]-2-[(Z)-{[1,3-dihydroxy-2-(hydroxymethyl)-2-propanyl]iminio}methyl]-6-methoxyphenolate [ACD/IUPAC Name]
4-[(E)-(2-Chlorophényl)diazényl]-2-[(Z)-{[1,3-dihydroxy-2-(hydroxyméthyl)-2-propanyl]iminio}méthyl]-6-méthoxyphénolate [French] [ACD/IUPAC Name]
4-[(E)-(2-Chlorphenyl)diazenyl]-2-[(Z)-{[1,3-dihydroxy-2-(hydroxymethyl)-2-propanyl]iminio}methyl]-6-methoxyphenolat [German] [ACD/IUPAC Name]

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

Density:
Boiling Point: 674.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 361.8±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 47.26
ACD/KOC (pH 5.5): 473.87
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 48.06
ACD/KOC (pH 7.4): 481.96
Polar Surface Area: 132 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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