ChemSpider 2D Image | (R)-closantel | C22H14Cl2I2N2O2

(R)-closantel

  • Molecular FormulaC22H14Cl2I2N2O2
  • Average mass663.074 Da
  • Monoisotopic mass661.852173 Da
  • ChemSpider ID30786137

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-closantel
Benzamide, N-[5-chloro-4-[(R)-(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodo- [ACD/Index Name]
N-{5-Chlor-4-[(R)-(4-chlorphenyl)(cyan)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodbenzamid [German] [ACD/IUPAC Name]
N-{5-Chloro-4-[(R)-(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide [ACD/IUPAC Name]
N-{5-Chloro-4-[(R)-(4-chlorophényl)(cyano)méthyl]-2-méthylphényl}-2-hydroxy-3,5-diiodobenzamide [French] [ACD/IUPAC Name]
260-967-1 [EINECS]
57808-65-8 [RN]
Closantel
UNII-EUL532EI54

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

Density: 1.9±0.1 g/cm3
Boiling Point: 590.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction: 1.736
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.08
ACD/LogD (pH 5.5): 8.00
ACD/BCF (pH 5.5): 671901.06
ACD/KOC (pH 5.5): 483302.84
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 39625.07
ACD/KOC (pH 7.4): 28502.57
Polar Surface Area: 73 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 341.1±3.0 cm3

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