(8-Chloronaphthalen-1-yl)boronic acid - ≥97% , CAS No.2305022-53-9

CAS: 2305022-53-9 Cat. No.: C1240118 Número EC: 859-935-5 PubChem CID: 133665882

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B(C1=C2C(=CC=C1)C=CC=C2Cl)(O)O
• IUPAC Name: (8-chloronaphthalen-1-yl)boronic acid
• InChIKey: LAKQJVVXANSQKZ-UHFFFAOYSA-N
• INCHI: 1S/C10H8BClO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6,13-14H
• Isómeros SMILES: B(C1=C2C(=CC=C1)C=CC=C2Cl)(O)O
• CAS alternativo: 2305022-53-9
• PubChem CID: 133665882

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Chloronaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Chloronaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloronaphthalenes
• Alternative Parents: Boronic acids Vinyl chlorides Organic metalloid salts Chloroalkenes Organochlorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Chloronaphthalene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organochloride - Organoboron compound - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chloronaphthalenes. These are aromatic heterocyclic compounds containing a naphthalene moiety substituted at one or more positions by a chlorine atom.
• 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

• Peso molecular: 206.430 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 206.031 Da
• Monoisotopic Mass: 206.031 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 201.000
• 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

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