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2-(4-Bromophenyl)-N-methylacetamide - 96%, high purity , CAS No.7713-76-0
Basic Description
Synonyms
2-(4-bromophenyl)-N-methylacetamide | 7713-76-0 | Cambridge id 6230715 | SCHEMBL3324450 | 4-bromophenyl-N-methyl acetamide | DTXSID30357074 | JCDMVJNUNZEZNE-UHFFFAOYSA-N | MFCD02577126 | STL260799 | AKOS000646683 | AM87193 | SB80041 | AS-42588 | CS-0208381 | EN300-7361143 | A865354 | Z3
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylacetamides
Intermediate Tree Nodes
Not available
Direct Parent
Phenylacetamides
Alternative Parents
Bromobenzenes Aryl bromides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylacetamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
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-(4-bromophenyl)-N-methylacetamide
INCHI
InChI=1S/C9H10BrNO/c1-11-9(12)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H,11,12)
InChIKey
JCDMVJNUNZEZNE-UHFFFAOYSA-N
Smiles
CNC(=O)CC1=CC=C(C=C1)Br
Isomeric SMILES
CNC(=O)CC1=CC=C(C=C1)Br
Molecular Weight
228.1
Reaxy-Rn
2613991
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2613991&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
228.090 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
226.995 Da
Monoisotopic Mass
226.995 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
153.000
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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