3-Fluoro-4'-propyl-4-biphenylboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.909709-42-8

CAS: 909709-42-8 Cat. No.: P332631 Peso molecular: 258.1 Número EC: 618-687-6 PubChem CID: 53402576

GRADE & PURITY ≥98%

Synonyms

(3-Fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)boronic acid | (3-Fluoro-4'-propyl[1,1'-biphenyl]-4-yl)boronic acid | DTXSID90695025 | SB66948 | XZGCBSYWWZAXRC-UHFFFAOYSA-N | 2-fluoro-4-(4-propylphenyl)phenylboronic acid | {3-fluoro-4'-propyl-[1,1'-biphenyl]-4-y

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(3-Fluoro-4'-propyl-[1, 1'-biphenyl]-4-yl)boronic acid | (3-Fluoro-4'-propyl[1, 1'-biphenyl]-4-yl)boronic acid | DTXSID90695025 | SB66948 | XZGCBSYWWZAXRC-UHFFFAOYSA-N | 2-fluoro-4-(4-propylphenyl)phenylboronic acid | {3-fluoro-4'-propyl-[1, 1'-biphenyl]-4-y

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201607
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201607
• Sonrisas canónicas: B(C1=C(C=C(C=C1)C2=CC=C(C=C2)CCC)F)(O)O
• IUPAC Name: [2-fluoro-4-(4-propylphenyl)phenyl]boronic acid
• InChIKey: XZGCBSYWWZAXRC-UHFFFAOYSA-N
• INCHI: 1S/C15H16BFO2/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16(18)19)15(17)10-13/h4-10,18-19H,2-3H2,1H3
• Isómeros SMILES: B(C1=C(C=C(C=C1)C2=CC=C(C=C2)CCC)F)(O)O
• PubChem CID: 53402576
• Peso molecular: 258.1

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: Phenylpropanes Fluorobenzenes Aryl fluorides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenylpropane - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organic metalloid moeity - Organohalogen compound - 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

• Solubilidad: soluble in methanol
• Peso molecular: 258.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 258.123 Da
• Monoisotopic Mass: 258.123 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 267.000
• 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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