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3-bromo-4-methylquinolin-2(1H)-one - ≥95%, high purity , CAS No.37778-22-6

COA

Grade & Purity:

≥95%

Cas Number: 37778-22-6
Molecular Weight: 238.09
MDL number: MFCD01740154
PubChem CID: 37832

In stock

Item Number

B769637

Grouped product items
SKU	Size	Availability	Price
B769637-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90
B769637-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$832.90
B769637-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,733.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolones
Alternative Parents	Haloquinolines Hydroquinolines Pyridinones Methylpyridines Benzenoids Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroquinolone - Haloquinoline - Dihydroquinoline - Pyridinone - Methylpyridine - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Lactam - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
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	3-bromo-4-methyl-1H-quinolin-2-one
INCHI	InChI=1S/C10H8BrNO/c1-6-7-4-2-3-5-8(7)12-10(13)9(6)11/h2-5H,1H3,(H,12,13)
InChIKey	ATONPIUAJAKDQK-UHFFFAOYSA-N
Smiles	CC1=C(C(=O)NC2=CC=CC=C12)Br
Isomeric SMILES	CC1=C(C(=O)NC2=CC=CC=C12)Br
PubChem CID	37832
Molecular Weight	238.09

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	238.080 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	236.979 Da
Monoisotopic Mass	236.979 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	272.000
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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