ácido 3-fluoro-2-metoxipiridina-5-borónico (contiene cantidades variables de anhídrido) - ≥98% , CAS No.856250-60-7

CAS: 856250-60-7 Cat. No.: F187158 Peso molecular: 170.9 Número EC: 835-884-4

GRADE & PURITY ≥98%

Synonyms

F1237 | AMY7955 | OCWTXKZPAZAQQW-UHFFFAOYSA-N | MFCD04112520 | 5-FLUORO-6-METHOXY-3-PYRIDINEBORONIC ACID | 2-methoxy-3-fluoropyridine-5-boronic acid | 5-fluoro-6-methoxypyridin-3-ylboronic acid | DS-17413 | 3-FLUORO-2-METHOXYPYRIDINE-5-BORONIC ACID | Boro

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

F1237 | AMY7955 | OCWTXKZPAZAQQW-UHFFFAOYSA-N | MFCD04112520 | 5-FLUORO-6-METHOXY-3-PYRIDINEBORONIC ACID | 2-methoxy-3-fluoropyridine-5-boronic acid | 5-fluoro-6-methoxypyridin-3-ylboronic acid | DS-17413 | 3-FLUORO-2-METHOXYPYRIDINE-5-BORONIC ACID | Boro

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504770458
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770458
• Sonrisas canónicas: B(C1=CC(=C(N=C1)OC)F)(O)O
• IUPAC Name: (5-fluoro-6-methoxypyridin-3-yl)boronic acid
• InChIKey: OCWTXKZPAZAQQW-UHFFFAOYSA-N
• INCHI: 1S/C6H7BFNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3,10-11H,1H3
• Isómeros SMILES: B(C1=CC(=C(N=C1)OC)F)(O)O
• Peso molecular: 170.9
• Reaxy-Rn: 15493555
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15493555&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• Sensibilidad: Heat Sensitive
• Peso molecular: 170.940 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 171.05 Da
• Monoisotopic Mass: 171.05 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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