3,4-Difluoro-2-methoxyphenylboronic acid - ≥98% , CAS No.905583-06-4

CAS: 905583-06-4 Cat. No.: D188007 Peso molecular: 187.9

GRADE & PURITY ≥98%

Synonyms

DTXSID70681901 | VSALEQTUDXMKST-UHFFFAOYSA-N | Y10142 | A860773 | MFCD13181640 | (3,4-Difluoro-2-methoxyphenyl)boronicacid | SCHEMBL2468624 | SY104583 | 2-methoxy-3,4-difluorophenylboronic acid | 3,4-DIFLUORO-2-METHOXYPHENYLBORONIC ACID | (3,4-Difluoro-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID70681901 | VSALEQTUDXMKST-UHFFFAOYSA-N | Y10142 | A860773 | MFCD13181640 | (3, 4-Difluoro-2-methoxyphenyl)boronicacid | SCHEMBL2468624 | SY104583 | 2-methoxy-3, 4-difluorophenylboronic acid | 3, 4-DIFLUORO-2-METHOXYPHENYLBORONIC ACID | (3, 4-Difluoro-2-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=C(C(=C(C=C1)F)F)OC)(O)O
• IUPAC Name: (3,4-difluoro-2-methoxyphenyl)boronic acid
• InChIKey: VSALEQTUDXMKST-UHFFFAOYSA-N
• INCHI: 1S/C7H7BF2O3/c1-13-7-4(8(11)12)2-3-5(9)6(7)10/h2-3,11-12H,1H3
• Isómeros SMILES: B(C1=C(C(=C(C=C1)F)F)OC)(O)O
• Peso molecular: 187.9
• Reaxy-Rn: 22842682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22842682&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organofluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: 187.940 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 188.046 Da
• Monoisotopic Mass: 188.046 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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