4-Fluoro-2-hydroxyphenylboronic acid - ≥96% , CAS No.850568-00-2

CAS: 850568-00-2 Cat. No.: F187021 Peso molecular: 155.9 Número EC: 690-438-4

GRADE & PURITY ≥96%

Synonyms

AKOS006222704 | FT-0686861 | AMY29937 | Y11016 | SY058760 | MFCD04115662 | 4-FLUORO-2-HYDROXYPHENYLBORONICACID | DTXSID10397579 | (4-fluoro-2-hydroxyphenyl)boronic acid | (4-fluoro-2-hydroxy-phenyl)boronic Acid | A863761 | DS-13872 | KOFNQIAWWVBBJZ-UHFFFA

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006222704 | FT-0686861 | AMY29937 | Y11016 | SY058760 | MFCD04115662 | 4-FLUORO-2-HYDROXYPHENYLBORONICACID | DTXSID10397579 | (4-fluoro-2-hydroxyphenyl)boronic acid | (4-fluoro-2-hydroxy-phenyl)boronic Acid | A863761 | DS-13872 | KOFNQIAWWVBBJZ-UHFFFA

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504762783
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762783
• Sonrisas canónicas: B(C1=C(C=C(C=C1)F)O)(O)O
• IUPAC Name: (4-fluoro-2-hydroxyphenyl)boronic acid
• InChIKey: KOFNQIAWWVBBJZ-UHFFFAOYSA-N
• INCHI: 1S/C6H6BFO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9-11H
• Isómeros SMILES: B(C1=C(C=C(C=C1)F)O)(O)O
• Peso molecular: 155.9
• Reaxy-Rn: 14394282
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14394282&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 M-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: M-fluorophenols
• Alternative Parents: Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organic metalloid moeity - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-fluorophenols. These are fluorophenols carrying a iodine at the C3 position of the benzene ring.
• 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: 155.920 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 156.039 Da
• Monoisotopic Mass: 156.039 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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