ChemSpider 2D Image | 2-{(E)-2-[5-Chloro-3-methyl-1-(1-naphthylmethyl)-1H-pyrazol-4-yl]vinyl}-4-quinolinecarboxylic acid | C27H20ClN3O2

2-{(E)-2-[5-Chloro-3-methyl-1-(1-naphthylmethyl)-1H-pyrazol-4-yl]vinyl}-4-quinolinecarboxylic acid

  • Molecular FormulaC27H20ClN3O2
  • Average mass453.920 Da
  • Monoisotopic mass453.124420 Da
  • ChemSpider ID22831145

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(E)-2-[5-Chlor-3-methyl-1-(1-naphthylmethyl)-1H-pyrazol-4-yl]vinyl}-4-chinolincarbonsäure [German] [ACD/IUPAC Name]
2-{(E)-2-[5-Chloro-3-methyl-1-(1-naphthylmethyl)-1H-pyrazol-4-yl]vinyl}-4-quinolinecarboxylic acid [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 2-[(E)-2-[5-chloro-3-methyl-1-(1-naphthalenylmethyl)-1H-pyrazol-4-yl]ethenyl]- [ACD/Index Name]
Acide 2-{(E)-2-[5-chloro-3-méthyl-1-(1-naphtylméthyl)-1H-pyrazol-4-yl]vinyl}-4-quinoléinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.7±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 130.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 74.42
ACD/KOC (pH 5.5): 132.89
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 25.08
ACD/KOC (pH 7.4): 44.79
Polar Surface Area: 68 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 347.5±7.0 cm3

Click to predict properties on the Chemicalize site


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