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Search term: ZKDBHJQRLCSUJT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ethyl 4-(4-bromophenyl)-5-cyano-6-ethoxy-2-methylnicotinate | C18H17BrN2O3

Ethyl 4-(4-bromophenyl)-5-cyano-6-ethoxy-2-methylnicotinate

  • Molecular FormulaC18H17BrN2O3
  • Average mass389.243 Da
  • Monoisotopic mass388.042236 Da
  • ChemSpider ID28491993

More details:

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

3-Pyridinecarboxylic acid, 4-(4-bromophenyl)-5-cyano-6-ethoxy-2-methyl-, ethyl ester [ACD/Index Name]
4-(4-Bromophényl)-5-cyano-6-éthoxy-2-méthylnicotinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(4-bromophenyl)-5-cyano-6-ethoxy-2-methylnicotinate [ACD/IUPAC Name]
Ethyl-4-(4-bromphenyl)-5-cyan-6-ethoxy-2-methylnicotinat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.6±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1898.84
ACD/KOC (pH 5.5): 7732.85
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1898.84
ACD/KOC (pH 7.4): 7732.85
Polar Surface Area: 72 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 271.6±5.0 cm3

Click to predict properties on the Chemicalize site


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