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Methyl 8-bromo-5-fluoro-4-hydroxyquinoline-2-carboxylate - 97%, high purity , CAS No.1133115-48-6

COA

Grade & Purity:

≥97%

Cas Number: 1133115-48-6
Molecular Weight: 300.1
PubChem CID: 46739197

In stock

Item Number

M179502

Grouped product items
SKU	Size	Availability	Price	Qty
M179502-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$96.90
M179502-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$400.90

Discover Methyl 8-bromo-5-fluoro-4-hydroxyquinoline-2-carboxylate by Aladdin Scientific in 97% for only $96.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	SB72490 \| 1133115-48-6 \| AKOS015834728 \| Methyl 8-bromo-5-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate \| methyl 8-bromo-5-fluoro-4-oxo-1H-quinoline-2-carboxylate \| METHYL 8-BROMO-5-FLUORO-4-HYDROXYQUINOLINE-2-CARBOXYLATE \| DTXSID00674821 \| MFCD11855870
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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 Pyridinecarboxylic acids Aryl bromides Aryl fluorides Benzenoids Vinylogous halides Vinylogous amides Heteroaromatic compounds Methyl esters Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organofluorides Organooxygen compounds Organic oxides Organobromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroquinolone - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl fluoride - Benzenoid - Pyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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	methyl 8-bromo-5-fluoro-4-oxo-1H-quinoline-2-carboxylate
INCHI	InChI=1S/C11H7BrFNO3/c1-17-11(16)7-4-8(15)9-6(13)3-2-5(12)10(9)14-7/h2-4H,1H3,(H,14,15)
InChIKey	VSCVZLBQUCUVBY-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=O)C2=C(C=CC(=C2N1)Br)F
Isomeric SMILES	COC(=O)C1=CC(=O)C2=C(C=CC(=C2N1)Br)F
PubChem CID	46739197
Molecular Weight	300.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	300.080 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	298.959 Da
Monoisotopic Mass	298.959 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	385.000
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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