(4-(Pyridin-4-yl)phenyl)boronic acid - ≥98% , CAS No.1045332-30-6

CAS: 1045332-30-6 Cat. No.: P189477 Peso molecular: 199.01 Número EC: 874-600-3 PubChem CID: 46911987

GRADE & PURITY ≥98%

Synonyms

1045332-30-6 | SCHEMBL2700560 | [4-(Pyridin-4-yl)phenyl]boronic acid | DTXSID60677297 | 4-(4-pyridyl)phenylboric acid | 4-(4-Pyridyl)phenylboronic Acid | 4-(4-Pyridinyl)phenylboronic acid | 4-(Pyrid-4-yl)phenylboronic acid | 4-(Pyridine-4-yl)phenylboronic

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1045332-30-6 | SCHEMBL2700560 | [4-(Pyridin-4-yl)phenyl]boronic acid | DTXSID60677297 | 4-(4-pyridyl)phenylboric acid | 4-(4-Pyridyl)phenylboronic Acid | 4-(4-Pyridinyl)phenylboronic acid | 4-(Pyrid-4-yl)phenylboronic acid | 4-(Pyridine-4-yl)phenylboronic

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201401
• Sonrisas canónicas: B(C1=CC=C(C=C1)C2=CC=NC=C2)(O)O
• IUPAC Name: (4-pyridin-4-ylphenyl)boronic acid
• InChIKey: QLVTYWFPUODTBB-UHFFFAOYSA-N
• INCHI: 1S/C11H10BNO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8,14-15H
• Isómeros SMILES: B(C1=CC=C(C=C1)C2=CC=NC=C2)(O)O
• PubChem CID: 46911987
• Peso molecular: 199.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN 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

• Peso molecular: 199.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.08 Da
• Monoisotopic Mass: 199.08 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 187.000
• 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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