Found 23 results

Search term: MF = 'C_{26}H_{22}BrClN_{2}O_{5}S'
ChemSpider 2D Image | 2-Bromo-4-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-6-ethoxyphenyl 4-methylbenzenesulfonate | C26H22BrClN2O5S

2-Bromo-4-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-6-ethoxyphenyl 4-methylbenzenesulfonate

  • Molecular FormulaC26H22BrClN2O5S
  • Average mass589.885 Da
  • Monoisotopic mass588.012146 Da
  • ChemSpider ID81307214

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Brom-4-{(1E)-3-[(3-chlor-4-methylphenyl)amino]-2-cyan-3-oxo-1-propen-1-yl}-6-ethoxyphenyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
2-Bromo-4-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}-6-ethoxyphenyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
2-Propenamide, 3-[3-bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-N-(3-chloro-4-methylphenyl)-2-cyano-, (2E)- [ACD/Index Name]
4-Méthylbenzènesulfonate de 2-bromo-4-{(1E)-3-[(3-chloro-4-méthylphényl)amino]-2-cyano-3-oxo-1-propén-1-yl}-6-éthoxyphényle [French] [ACD/IUPAC 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: 759.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.1±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 60912.66
ACD/KOC (pH 5.5): 92570.40
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 60811.35
ACD/KOC (pH 7.4): 92416.45
Polar Surface Area: 114 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 395.9±3.0 cm3

Click to predict properties on the Chemicalize site


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