ChemSpider 2D Image | 4-[(Z)-({3-[(3,4-Dichlorobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxy-6-nitrophenol | C18H15Cl2N5O4S

4-[(Z)-({3-[(3,4-Dichlorobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxy-6-nitrophenol

  • Molecular FormulaC18H15Cl2N5O4S
  • Average mass468.314 Da
  • Monoisotopic mass467.022186 Da
  • ChemSpider ID60147212

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(Z)-({3-[(3,4-Dichlorbenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxy-6-nitrophenol [German] [ACD/IUPAC Name]
4-[(Z)-({3-[(3,4-Dichlorobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxy-6-nitrophenol [ACD/IUPAC Name]
4-[(Z)-({3-[(3,4-Dichlorobenzyl)sulfanyl]-5-méthyl-4H-1,2,4-triazol-4-yl}imino)méthyl]-2-méthoxy-6-nitrophénol [French] [ACD/IUPAC Name]
Phenol, 4-[(Z)-[[3-[[(3,4-dichlorophenyl)methyl]thio]-5-methyl-4H-1,2,4-triazol-4-yl]imino]methyl]-2-methoxy-6-nitro- [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: 661.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 598.43
ACD/KOC (pH 5.5): 1888.31
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 11.88
ACD/KOC (pH 7.4): 37.48
Polar Surface Area: 144 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 302.1±7.0 cm3

Click to predict properties on the Chemicalize site


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