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4-Bromo-5-fluoro-1-methylpyridin-2(1H)-one - ≥95%, high purity , CAS No.1193334-87-0

COA

Grade & Purity:

≥95%

Cas Number: 1193334-87-0
Molecular Weight: 206.01
PubChem CID: 59635671

In stock

Item Number

B734478

Grouped product items
SKU	Size	Availability	Price	Qty
B734478-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$432.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Halopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Polyhalopyridines
Alternative Parents	Pyridinones Dihydropyridines Aryl fluorides Aryl bromides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Polyhalopyridine - Dihydropyridine - Pyridinone - Aryl bromide - Aryl fluoride - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by 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	4-bromo-5-fluoro-1-methylpyridin-2-one
INCHI	InChI=1S/C6H5BrFNO/c1-9-3-5(8)4(7)2-6(9)10/h2-3H,1H3
InChIKey	FRLYEFGFRWMIMI-UHFFFAOYSA-N
Smiles	CN1C=C(C(=CC1=O)Br)F
Isomeric SMILES	CN1C=C(C(=CC1=O)Br)F
PubChem CID	59635671
Molecular Weight	206.01

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.010 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	204.954 Da
Monoisotopic Mass	204.954 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	234.000
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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