(4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid (Contains varying amounts of anhydride) - ≥97% , CAS No.501944-43-0

CAS: 501944-43-0 Cat. No.: M664971 Peso molecular: 256.06 PubChem CID: 16244481

GRADE & PURITY ≥97%

Synonyms

(4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid | 4-(4-methoxycarbonylphenyl)phenyl]boronic acid | 4'-Boronic acid-biphenyl-4-carboxylic acid methyl ester

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

(4'-(Methoxycarbonyl)-[1, 1'-biphenyl]-4-yl)boronic acid | 4-(4-methoxycarbonylphenyl)phenyl]boronic acid | 4'-Boronic acid-biphenyl-4-carboxylic acid methyl ester

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC)(O)O
• IUPAC Name: [4-(4-methoxycarbonylphenyl)phenyl]boronic acid
• InChIKey: OBHWJBMJYPCGPE-UHFFFAOYSA-N
• INCHI: 1S/C14H13BO4/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)15(17)18/h2-9,17-18H,1H3
• Isómeros SMILES: B(C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC)(O)O
• CAS alternativo: 501944-43-0
• PubChem CID: 16244481
• Peso molecular: 256.06

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzoic acid esters Benzoyl derivatives Methyl esters Boronic acids Organic metalloid salts Monocarboxylic acids and derivatives Organooxygen compounds Organoboron compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Methyl ester - Boronic acid derivative - Boronic acid - Carboxylic acid ester - Organic metalloid salt - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organoboron compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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: light sensitive
• Peso molecular: 256.060 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.091 Da
• Monoisotopic Mass: 256.091 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 292.000
• 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

XLogP3