3-Acetyl-2-fluoropyridine - ≥97% , CAS No.79574-70-2

CAS: 79574-70-2 Cat. No.: A186662 Summenformel: C₇H₆FNO Molekulargewicht: 139.1 EG-Nummer: 872-911-9

QUALITÄT & REINHEIT ≥97%

Synonyms

FT-0656432 | AB41104 | 1-(2-fluoropyridine-3-yl)ethanone | AKOS005762915 | KEEHTCBOJCVCNO-UHFFFAOYSA-N | SY064682 | F31395 | PS-9068 | AC-7711 | DTXSID30507653 | 3-ACETYL-2-FLUOROPYRIDINE | A9916 | 1-(2-fluoro-pyridin-3-yl)-ethanone | 1-(2-fluoropyridin-3

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

FT-0656432 | AB41104 | 1-(2-fluoropyridine-3-yl)ethanone | AKOS005762915 | KEEHTCBOJCVCNO-UHFFFAOYSA-N | SY064682 | F31395 | PS-9068 | AC-7711 | DTXSID30507653 | 3-ACETYL-2-FLUOROPYRIDINE | A9916 | 1-(2-fluoro-pyridin-3-yl)-ethanone | 1-(2-fluoropyridin-3

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC(=O)C1=C(N=CC=C1)F

IUPAC Name

1-(2-fluoropyridin-3-yl)ethanone

InChIKey

KEEHTCBOJCVCNO-UHFFFAOYSA-N

INCHI

1S/C7H6FNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3

Isomere SMILES

CC(=O)C1=C(N=CC=C1)F

Molekulargewicht

139.1

Reaxy-Rn

4859231

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4859231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: 2-halopyridines Aryl fluorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - 2-halopyridine - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Vinylogous halide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 139.130 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.043 Da
• Monoisotopic Mass: 139.043 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• 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