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2-(4-bromophenyl)-N-methoxy-N-methylacetamide - ≥95%, high purity , CAS No.149652-50-6

COA

Grade & Purity:

≥95%

Cas Number: 149652-50-6
Molecular Weight: 258.1
PubChem CID: 18946899

In stock

Item Number

N729451

Grouped product items
SKU	Size	Availability	Price	Qty
N729451-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
N729451-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$181.90

Taxonomic Classification

Taxonomy Tree

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

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 Carboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylacetamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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
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-(4-bromophenyl)-N-methoxy-N-methylacetamide
INCHI	InChI=1S/C10H12BrNO2/c1-12(14-2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKey	ILXYGVKKXCAIIJ-UHFFFAOYSA-N
Smiles	CN(C(=O)CC1=CC=C(C=C1)Br)OC
Isomeric SMILES	CN(C(=O)CC1=CC=C(C=C1)Br)OC
PubChem CID	18946899
Molecular Weight	258.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	258.110 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	257.005 Da
Monoisotopic Mass	257.005 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	14
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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