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(4-Chlorophenyl)(4-fluorophenyl)methanone - 98%, high purity , CAS No.2069-48-9
Basic Description
Synonyms
(4-chlorophenyl)(4-fluorophenyl)methanone | 2069-48-9 | 4-CHLORO-4'-FLUOROBENZOPHENONE | (4-chlorophenyl)-(4-fluorophenyl)methanone | MFCD07787488 | SCHEMBL698985 | CHEMBL1863065 | DTXSID60550314 | 4-Chloro-4'-Fluoro Benzophenone | YGROSAOZMCLHSW-UHFFFAOYSA-N | DNDI1268117 | A
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzophenones
Intermediate Tree Nodes
Not available
Direct Parent
Benzophenones
Alternative Parents
Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Ketone - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(4-chlorophenyl)-(4-fluorophenyl)methanone
INCHI
InChI=1S/C13H8ClFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
YGROSAOZMCLHSW-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)F
Isomeric SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)F
Molecular Weight
234.7
Reaxy-Rn
2264335
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2264335&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
234.650 g/mol
XLogP3
4.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
234.025 Da
Monoisotopic Mass
234.025 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
240.000
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
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