3′-Fluoro-4′-methylacetophenone - ≥97% , CAS No.42444-14-4

CAS: 42444-14-4 Cat. No.: F353287 Summenformel: C₉H₉FO Molekulargewicht: 152.17 EG-Nummer: 670-266-6

QUALITÄT & REINHEIT ≥97%

Synonyms

SY101084 | 1-(3-fluoro-4-methylphenyl)ethan-1-one | AKOS009157680 | MFCD01631411 | FT-0647717 | 3'-Fluoro-4'-methylacetophenone, AldrichCPR | A872885 | Z513735432 | 3 inverted exclamation mark -Fluoro-4 inverted exclamation mark -methylacetophenone | 3'-F

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

SY101084 | 1-(3-fluoro-4-methylphenyl)ethan-1-one | AKOS009157680 | MFCD01631411 | FT-0647717 | 3'-Fluoro-4'-methylacetophenone, AldrichCPR | A872885 | Z513735432 | 3 inverted exclamation mark -Fluoro-4 inverted exclamation mark -methylacetophenone | 3'-F

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488193601

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193601

Kanonisches Lächeln

CC1=C(C=C(C=C1)C(=O)C)F

IUPAC Name

1-(3-fluoro-4-methylphenyl)ethanone

InChIKey

XAMNMGLEJNLUIH-UHFFFAOYSA-N

INCHI

1S/C9H9FO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3

Isomere SMILES

CC1=C(C=C(C=C1)C(=O)C)F

Molekulargewicht

152.17

Reaxy-Rn

9900352

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9900352&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Benzoyl derivatives Aryl alkyl ketones Toluenes Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Toluene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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: 152.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.064 Da
• Monoisotopic Mass: 152.064 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• 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