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N-(4-Bromo-5-Fluoro-2-Methylphenyl)Acetamide - ≥98%, high purity , CAS No.633335-80-5

COA

Grade & Purity:

≥98%

Cas Number: 633335-80-5
Molecular Weight: 246.08
PubChem CID: 23070217

In stock

Item Number

N731000

Grouped product items
SKU	Size	Availability	Price	Qty
N731000-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90
N731000-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Acetanilides
        Level6 Haloacetanilides
        Level7 M-haloacetanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Acetanilides - Haloacetanilides
Direct Parent	M-haloacetanilides
Alternative Parents	P-haloacetanilides N-acetylarylamines Toluenes Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Acetamides Secondary carboxylic acid amides Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-haloacetanilide - P-haloacetanilide - N-acetylarylamine - N-arylamide - Bromobenzene - Toluene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - 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 m-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn meta-substituted with a halogen atom.
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	N-(4-bromo-5-fluoro-2-methylphenyl)acetamide
INCHI	InChI=1S/C9H9BrFNO/c1-5-3-7(10)8(11)4-9(5)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChIKey	KCEWAUIVDCPPQJ-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1NC(=O)C)F)Br
Isomeric SMILES	CC1=CC(=C(C=C1NC(=O)C)F)Br
PubChem CID	23070217
Molecular Weight	246.08

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	246.080 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	244.985 Da
Monoisotopic Mass	244.985 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200.000
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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N-(4-Bromo-5-Fluoro-2-Methylphenyl)Acetamide - ≥98%, high purity , CAS No.633335-80-5

Basic Description