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Search term: QXGBMBALYBMXCQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 4-[(4-iodo-2-methylphenyl)amino]-6,6-dimethyl-2-oxo-3-cyclohexene-1-carboxylate | C17H20INO3

Methyl 4-[(4-iodo-2-methylphenyl)amino]-6,6-dimethyl-2-oxo-3-cyclohexene-1-carboxylate

  • Molecular FormulaC17H20INO3
  • Average mass413.250 Da
  • Monoisotopic mass413.048767 Da
  • ChemSpider ID64818709

More details:

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

3-Cyclohexene-1-carboxylic acid, 4-[(4-iodo-2-methylphenyl)amino]-6,6-dimethyl-2-oxo-, methyl ester [ACD/Index Name]
4-[(4-Iodo-2-méthylphényl)amino]-6,6-diméthyl-2-oxo-3-cyclohexène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[(4-iodo-2-methylphenyl)amino]-6,6-dimethyl-2-oxo-3-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Methyl-4-[(4-iod-2-methylphenyl)amino]-6,6-dimethyl-2-oxo-3-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
methyl 4-[(4-iodo-2-methylphenyl)amino]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
MFCD30539929

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

Density: 1.5±0.1 g/cm3
Boiling Point: 448.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 224.9±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 494.09
ACD/KOC (pH 5.5): 2950.06
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 493.81
ACD/KOC (pH 7.4): 2948.39
Polar Surface Area: 55 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 273.6±3.0 cm3

Click to predict properties on the Chemicalize site


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