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2-CHLORO-2',3'-ACETOXYLIDIDE , CAS No.2564-07-0
Discover 2-CHLORO-2',3'-ACETOXYLIDIDE by Aladdin Scientific in for only $22.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-chloro-N-(2,3-dimethylphenyl)acetamide | 2564-07-0 | 2-Chloro-N-(2,3-dimethyl-phenyl)-acetamide | MFCD00018895 | 2-chloro-n-(2,3-dimethyl-phenyl)acetamide | 2-Chloro-2',3'-acetoxylidide | Acetamide,2-chloro-N-(2,3-dimethylphenyl)- | NSC166431 | Acetamide, 2-chloro-N-(2
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Not available
Direct Parent
Anilides
Alternative Parents
o-Xylenes N-arylamides Chloroacetamides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Anilide - N-arylamide - Xylene - O-xylene - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Carbonyl group - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
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-N-(2,3-dimethylphenyl)acetamide
INCHI
InChI=1S/C10H12ClNO/c1-7-4-3-5-9(8(7)2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
UAXPAYVQIXNSHW-UHFFFAOYSA-N
Smiles
CC1=C(C(=CC=C1)NC(=O)CCl)C
Isomeric SMILES
CC1=C(C(=CC=C1)NC(=O)CCl)C
Molecular Weight
197.666
Reaxy-Rn
2692887
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692887&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.660 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
197.061 Da
Monoisotopic Mass
197.061 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
184.000
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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