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2-Bromo-1-(4-chlorophenyl)-2-phenylethan-1-one - 96%, high purity , CAS No.1889-78-7
Basic Description
Synonyms
1889-78-7 | 2-bromo-1-(4-chlorophenyl)-2-phenylethan-1-one | 2-bromo-1-(4-chlorophenyl)-2-phenylethanone | Ethanone, 2-bromo-1-(4-chlorophenyl)-2-phenyl- | 1-(4-chlorophenyl)-2-bromo-2-phenylethanone | 2-bromo-1-(4-chlorophenyl)-2-phenyl-ethanone | SCHEMBL627839 | DTXS
Specifications & Purity
≥96%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Stilbenes
Alternative Parents
Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Alpha-haloketones Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Stilbene - Alkyl-phenylketone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Ketone - Alkyl bromide - Organohalogen compound - Organobromide - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
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.
Names and Identifiers
IUPAC Name
2-bromo-1-(4-chlorophenyl)-2-phenylethanone
INCHI
InChI=1S/C14H10BrClO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
InChIKey
OBEFSOTWERFWSZ-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)Cl)Br
Isomeric SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)Cl)Br
Molecular Weight
309.6
Reaxy-Rn
1214591
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1214591&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
309.580 g/mol
XLogP3
4.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
307.96 Da
Monoisotopic Mass
307.96 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
255.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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