ácido 3-(E-2-cianovinil)fenilborónico (contiene cantidades variables de anhídrido) - ≥97% , CAS No.850568-53-5

CAS: 850568-53-5 Cat. No.: E187048 Peso molecular: 173 Número EC: 689-348-8 PubChem CID: 6294465

GRADE & PURITY ≥97%

Synonyms

BS-24293 | (E)-(3-(2-Cyanovinyl)phenyl)boronicacid | 3-(E-2-Cyanovinyl)phenylboronic acid | {3-[(1E)-2-cyanoeth-1-en-1-yl]phenyl}boronic acid | (E)-(3-(2-Cyanovinyl)phenyl)boronic acid | A863742 | SCHEMBL2555208 | 3,5-DISULFOBENZOICACID,DISODIUMSALT | 3-(

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BS-24293 | (E)-(3-(2-Cyanovinyl)phenyl)boronicacid | 3-(E-2-Cyanovinyl)phenylboronic acid | {3-[(1E)-2-cyanoeth-1-en-1-yl]phenyl}boronic acid | (E)-(3-(2-Cyanovinyl)phenyl)boronic acid | A863742 | SCHEMBL2555208 | 3, 5-DISULFOBENZOICACID, DISODIUMSALT | 3-(

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488195694
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195694
• Sonrisas canónicas: B(C1=CC(=CC=C1)C=CC#N)(O)O
• IUPAC Name: [3-[(E)-2-cyanoethenyl]phenyl]boronic acid
• InChIKey: YDSLGHLJEJPWNC-DUXPYHPUSA-N
• INCHI: 1S/C9H8BNO2/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7,12-13H/b4-2+
• Isómeros SMILES: B(C1=CC(=CC=C1)/C=C/C#N)(O)O
• PubChem CID: 6294465
• Peso molecular: 173

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Boronic acids Organic metalloid salts Nitriles Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 172.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.065 Da
• Monoisotopic Mass: 173.065 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 231.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

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