4-Fluoro-4'-methoxybenzophenone - ≥98% , CAS No.345-89-1

CAS: 345-89-1 Cat. No.: F133809 Formula: C₁₄H₁₁FO₂ Peso molecolare: 230.23 Numero EC: 206-464-2

GRADE & PURITY ≥98%

Synonyms

4-FLUORO-4?-METHOXYBENZOPHENONE | AS-12302 | (4-Fluoro-phenyl)-(4-methoxy-phenyl)-methanone | (4-fluorophenyl)-(4-methoxyphenyl)methanone | (4-fluorophenyl)(4-methoxyphenyl)methanone | AB01322488-02 | EN300-54341 | NCGC00327841-01 | SY039172 | 4-Fluoro-4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-FLUORO-4?-METHOXYBENZOPHENONE | AS-12302 | (4-Fluoro-phenyl)-(4-methoxy-phenyl)-methanone | (4-fluorophenyl)-(4-methoxyphenyl)methanone | (4-fluorophenyl)(4-methoxyphenyl)methanone | AB01322488-02 | EN300-54341 | NCGC00327841-01 | SY039172 | 4-Fluoro-4

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488183982

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183982

Sorrisi canonici

COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)F

IUPAC Name

(4-fluorophenyl)-(4-methoxyphenyl)methanone

InChIKey

VWGWRNBIAWTWIB-UHFFFAOYSA-N

INCHI

1S/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3

Isomeri SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)F

Peso molecolare

230.23

Reaxy-Rn

1965008

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1965008&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Methoxybenzene - Halobenzene - Fluorobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Ketone - Ether - Organofluoride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 230.230 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.074 Da
• Monoisotopic Mass: 230.074 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 251.000
• 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