Salantel - ≥95% , CAS No.36093-47-7

CAS: 36093-47-7 Cat. No.: S1302249 PubChem CID: 185463

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl)Cl
• IUPAC Name: N-[3-chloro-4-(4-chlorobenzoyl)phenyl]-2-hydroxy-3,5-diiodobenzamide
• InChIKey: IYOGQJKSVBNXBF-UHFFFAOYSA-N
• INCHI: 1S/C20H11Cl2I2NO3/c21-11-3-1-10(2-4-11)18(26)14-6-5-13(9-16(14)22)25-20(28)15-7-12(23)8-17(24)19(15)27/h1-9,27H,(H,25,28)
• SMILES isoméricas: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl)Cl
• CAS alternativo: 36093-47-7
• PubChem CID: 185463

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzophenones Aryl-phenylketones Diphenylmethanes 3-halobenzoic acids and derivatives Salicylamides Benzamides P-iodophenols Benzoyl derivatives O-iodophenols Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Vinylogous halides Vinylogous acids Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organochlorides Organoiodides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzophenone - Aryl-phenylketone - Diphenylmethane - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - Salicylamide - Benzamide - Benzoic acid or derivatives - Benzoyl - 4-halophenol - 2-halophenol - Aryl ketone - 2-iodophenol - 4-iodophenol - Chlorobenzene - Halobenzene - Iodobenzene - Phenol - Aryl iodide - Aryl halide - Aryl chloride - Vinylogous halide - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Propriedades químicas e físicas

• Peso molecular: 638.000 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 636.821 Da
• Monoisotopic Mass: 636.821 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 574.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.