(3-Bromo-5-chloro-2-fluorophenyl)boronic acid - ≥98% , CAS No.2377608-61-0

CAS: 2377608-61-0 Cat. No.: B1251029 PubChem CID: 91658786

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC(=CC(=C1F)Br)Cl)(O)O
• IUPAC Name: (3-bromo-5-chloro-2-fluorophenyl)boronic acid
• InChIKey: NMOPQYMXMOJAJG-UHFFFAOYSA-N
• INCHI: 1S/C6H4BBrClFO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,11-12H
• Isómeros SMILES: B(C1=CC(=CC(=C1F)Br)Cl)(O)O
• PubChem CID: 91658786

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Chlorobenzenes Bromobenzenes Aryl fluorides Aryl chlorides Aryl bromides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organochlorides Organobromides Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Chlorobenzene - Fluorobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic metalloid moeity - Organobromide - Organochloride - Organofluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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: 253.260 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 251.916 Da
• Monoisotopic Mass: 251.916 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 162.000
• 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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