(4-Chloro-2-fluoro-3-hydroxyphenyl)boronic acid（contains varying amounts of Anhydride） - ≥97% , CAS No.1451393-13-7

CAS: 1451393-13-7 Cat. No.: C587280 Peso molecular: 190.37

GRADE & PURITY ≥97%

Synonyms

4-Chloro-2-fluoro-3-hydroxyphenylboronic acid | B-(4-Chloro-2-fluoro-3-hydroxyphenyl)boronic acid | AKOS027425705 | (4-chloro-2-fluoro-3-hydroxyphenyl)boronicacid | MFCD19981522 | 1451393-13-7 | D71520 | (4-chloro-2-fluoro-3-hydroxyphenyl)boronic acid | D

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-Chloro-2-fluoro-3-hydroxyphenylboronic acid | B-(4-Chloro-2-fluoro-3-hydroxyphenyl)boronic acid | AKOS027425705 | (4-chloro-2-fluoro-3-hydroxyphenyl)boronicacid | MFCD19981522 | 1451393-13-7 | D71520 | (4-chloro-2-fluoro-3-hydroxyphenyl)boronic acid | D

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B(C1=C(C(=C(C=C1)Cl)O)F)(O)O
• IUPAC Name: (4-chloro-2-fluoro-3-hydroxyphenyl)boronic acid
• InChIKey: CYFLEBLGQHFBBB-UHFFFAOYSA-N
• INCHI: 1S/C6H5BClFO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10-12H
• Isómeros SMILES: B(C1=C(C(=C(C=C1)Cl)O)F)(O)O
• Peso molecular: 190.37
• Reaxy-Rn: 28159859
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28159859&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: O-fluorophenols
• Alternative Parents: O-chlorophenols Fluorobenzenes Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl fluorides Aryl chlorides Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-chlorophenol - 2-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organochloride - Organofluoride - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-fluorophenols. These are fluorophenols carrying a iodine at the C2 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: 190.370 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190 Da
• Monoisotopic Mass: 190 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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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