(2,6-Dichloro-4-methoxyphenyl)boronic acid - ≥98% , CAS No.851756-60-0

CAS: 851756-60-0 Cat. No.: D1318153 Peso molecular: 220.84 PubChem CID: 86048774

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=C(C=C(C=C1Cl)OC)Cl)(O)O
• IUPAC Name: (2,6-dichloro-4-methoxyphenyl)boronic acid
• InChIKey: ZTLVJCQYCNMWQO-UHFFFAOYSA-N
• INCHI: 1S/C7H7BCl2O3/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,11-12H,1H3
• Isómeros SMILES: B(C1=C(C=C(C=C1Cl)OC)Cl)(O)O
• PubChem CID: 86048774
• Peso molecular: 220.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Chlorobenzenes Alkyl aryl ethers Boronic acids Vinyl chlorides Organic metalloid salts Chloroalkenes Organochlorides Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organochloride - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: 220.840 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.987 Da
• Monoisotopic Mass: 219.987 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 158.000
• 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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