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N-(2-Acetyl-4-bromophenyl)acetamide - 98%, high purity , CAS No.29124-64-9
Basic Description
Synonyms
N-(2-acetyl-4-bromophenyl)acetamide | 29124-64-9 | N-(2-acetyl-4-bromo-phenyl)acetamide | N-(2-Acetyl-4-bromo-phenyl)-acetamide | 2-Acetyl-4-bromoacetanilide | SCHEMBL796957 | DTXSID50332626 | SGHNZIRCTDCQPX-UHFFFAOYSA-N | AMY32323 | MFCD00460457 | AKOS016006911 | MB01207 | AC-2
Specifications & Purity
≥98%
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
P-haloacetanilides N-acetylarylamines Acetophenones Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Vinylogous amides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - P-haloacetanilide - Haloacetanilide - Acetanilide - Anilide - Acetophenone - N-acetylarylamine - Aryl alkyl ketone - N-arylamide - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Acetamide - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organopnictogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - 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
N-(2-acetyl-4-bromophenyl)acetamide
INCHI
InChI=1S/C10H10BrNO2/c1-6(13)9-5-8(11)3-4-10(9)12-7(2)14/h3-5H,1-2H3,(H,12,14)
InChIKey
SGHNZIRCTDCQPX-UHFFFAOYSA-N
Smiles
CC(=O)C1=C(C=CC(=C1)Br)NC(=O)C
Isomeric SMILES
CC(=O)C1=C(C=CC(=C1)Br)NC(=O)C
Molecular Weight
256.1
Reaxy-Rn
2806312
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2806312&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
256.100 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
254.989 Da
Monoisotopic Mass
254.989 Da
Topological Polar Surface Area
46.200 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
242.000
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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