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2-Chloro-1-(4-ethylphenyl)ethanone , CAS No.50690-09-0
Discover 2-Chloro-1-(4-ethylphenyl)ethanone by Aladdin Scientific in for only $200.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
50690-09-0 | 2-chloro-1-(4-ethylphenyl)ethanone | 2-Chloro-1-(4-ethylphenyl)-ethanone | 2-Chloro-1-(4-ethyl-phenyl)-ethanone | 2-chloro-1-(4-ethylphenyl)ethan-1-one | Ethanone, 2-chloro-1-(4-ethylphenyl)- (9CI) | MFCD03964194 | SCHEMBL11357034 | DTXSID80402745 | AKOS000115
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Benzoyl derivatives Aryl alkyl ketones Alpha-chloroketones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description
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.
Names and Identifiers
IUPAC Name
2-chloro-1-(4-ethylphenyl)ethanone
INCHI
InChI=1S/C10H11ClO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6H,2,7H2,1H3
InChIKey
MLDROUSGWZPVMD-UHFFFAOYSA-N
Smiles
CCC1=CC=C(C=C1)C(=O)CCl
Isomeric SMILES
CCC1=CC=C(C=C1)C(=O)CCl
Molecular Weight
182.65
Reaxy-Rn
2044393
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044393&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
182.640 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
182.05 Da
Monoisotopic Mass
182.05 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
148.000
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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