2,6-Difluoro-4-morpholinophenylboronic acid - ≥98% , CAS No.1093878-46-6

CAS: 1093878-46-6 Cat. No.: D1239384 Fórmula: C₁₀H₁₂BF₂NO₃ Peso molecular: 243.02

GRAU & PUREZA ≥98%

Storage

Room temperature

Shipped In

Normal

Especificações

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

B(C1=C(C=C(C=C1F)N2CCOCC2)F)(O)O

IUPAC Name

(2,6-difluoro-4-morpholin-4-ylphenyl)boronic acid

InChIKey

NAOVNRUMPBRELH-UHFFFAOYSA-N

INCHI

1S/C10H12BF2NO3/c12-8-5-7(14-1-3-17-4-2-14)6-9(13)10(8)11(15)16/h5-6,15-16H,1-4H2

Peso molecular

243.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Aryl fluorides Boronic acids Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aniline or substituted anilines - Dialkylarylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Boronic acid - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Organic metalloid salt - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN 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

Propriedades químicas e físicas

• Peso molecular: 243.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 243.088 Da
• Monoisotopic Mass: 243.088 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 242.000
• 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