Fludazonium chloride - Moligand™,≥99% , CAS No.53597-28-7

CAS: 53597-28-7 Cat. No.: F1353936 Peso molecular: 588.71

GRADE & PURITY Moligand™, ≥99%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Especificaciones y pureza

Moligand™, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C(=O)C[N+]2=CN(C=C2)CC(C3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl)F.[Cl-]
• IUPAC Name: 2-[3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone;chloride
• InChIKey: JWPMAPBNVNRWBX-UHFFFAOYSA-M
• INCHI: 1S/C26H20Cl4FN2O2.ClH/c27-19-4-1-18(23(29)11-19)15-35-26(22-8-5-20(28)12-24(22)30)14-33-10-9-32(16-33)13-25(34)17-2-6-21(31)7-3-17;/h1-12,16,26H,13-15H2;1H/q+1;/p-1
• Isómeros SMILES: C1=CC(=CC=C1C(=O)C[N+]2=CN(C=C2)CC(C3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl)F.[Cl-]
• CAS alternativo: 53597-28-7
• Número NSC: 351149
• Peso molecular: 588.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzylethers Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzylether - 1,3-dichlorobenzene - Aryl alkyl ketone - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Monocyclic benzene moiety - Benzenoid - Aryl chloride - N-substituted imidazole - Aryl fluoride - Aryl halide - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 588.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 587.992 Da
• Monoisotopic Mass: 585.995 Da
• Topological Polar Surface Area: 35.100 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 684.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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