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2-Chloro-N-(3，4-dimethoxyphenyl)acetamide - ≥95%, high purity , CAS No.62593-78-6

COA

Grade & Purity:

≥95%

Cas Number: 62593-78-6
Molecular Weight: 229.67
PubChem CID: 2303715

In stock

Item Number

C699754

Grouped product items
SKU	Size	Availability	Price	Qty
C699754-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
C699754-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$650.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Methoxyanilines Anilides Phenoxy compounds N-arylamides Anisoles Alkyl aryl ethers Chloroacetamides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dimethoxybenzene - O-dimethoxybenzene - Anilide - Methoxyaniline - Anisole - Phenol ether - N-arylamide - Phenoxy compound - Alkyl aryl ether - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Alkyl halide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-chloro-N-(3,4-dimethoxyphenyl)acetamide
INCHI	InChI=1S/C10H12ClNO3/c1-14-8-4-3-7(5-9(8)15-2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey	KOBDAPRVHVIWAE-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)NC(=O)CCl)OC
Isomeric SMILES	COC1=C(C=C(C=C1)NC(=O)CCl)OC
PubChem CID	2303715
Molecular Weight	229.67

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.660 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	229.051 Da
Monoisotopic Mass	229.051 Da
Topological Polar Surface Area	47.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	213.000
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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