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N-(4-Bromo-2,6-dichlorophenyl)acetamide - 98%, high purity , CAS No.13953-09-8
Basic Description
Synonyms
N-(4-BROMO-2,6-DICHLOROPHENYL)ACETAMIDE | 13953-09-8 | Acetamide,N-(4-bromo-2,6-dichlorophenyl)- | Acetamide, N-(4-bromo-2,6-dichlorophenyl)- | DTXSID40504658 | MFCD08703152 | AKOS008969096 | DS-16273 | CS-0153988 | C72576
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Acetanilides - Haloacetanilides
Direct Parent
O-haloacetanilides
Alternative Parents
P-haloacetanilides N-acetylarylamines Dichlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Acetamides Secondary carboxylic acid amides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-haloacetanilide - P-haloacetanilide - N-acetylarylamine - N-arylamide - 1,3-dichlorobenzene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom.
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
Pubchem Sid
504767175
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504767175
IUPAC Name
N-(4-bromo-2,6-dichlorophenyl)acetamide
INCHI
InChI=1S/C8H6BrCl2NO/c1-4(13)12-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3,(H,12,13)
InChIKey
VLEHCDVPBFIQSK-UHFFFAOYSA-N
Smiles
CC(=O)NC1=C(C=C(C=C1Cl)Br)Cl
Isomeric SMILES
CC(=O)NC1=C(C=C(C=C1Cl)Br)Cl
Molecular Weight
282.95
Reaxy-Rn
3092451
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3092451&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
282.950 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
280.901 Da
Monoisotopic Mass
280.901 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
191.000
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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J2119558