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6-Bromoisoquinoline-3-carboxylic acid - 97%, high purity , CAS No.1416713-22-8

COA

Grade & Purity:

≥97%

Cas Number: 1416713-22-8
Molecular Weight: 252.06
PubChem CID: 71251002

In stock

Item Number

B190869

Grouped product items
SKU	Size	Availability	Price	Qty
B190869-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
B190869-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90

Discover 6-Bromoisoquinoline-3-carboxylic acid by Aladdin Scientific in 97% for only $22.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	6-Bromoisoquinoline-3-carboxylic acid \| 1416713-22-8 \| MFCD22689652 \| 3-Isoquinolinecarboxylic acid, 6-bromo- \| SCHEMBL14684656 \| DTXSID20744257 \| 6-Bromoisoquinoline-3-carboxylicacid \| AKOS022171762 \| 6-Bromo-isoquinoline-3-carboxylic acid \| CS-W006166 \| DS-5302 \| SB33480 \| SY1
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolines and derivatives
Alternative Parents	Pyridinecarboxylic acids Benzenoids Aryl bromides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl halide - Aryl bromide - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
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	6-bromoisoquinoline-3-carboxylic acid
INCHI	InChI=1S/C10H6BrNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-5H,(H,13,14)
InChIKey	WXVPUINLXIXGEP-UHFFFAOYSA-N
Smiles	C1=CC2=CN=C(C=C2C=C1Br)C(=O)O
Isomeric SMILES	C1=CC2=CN=C(C=C2C=C1Br)C(=O)O
Molecular Weight	252.06
Reaxy-Rn	33774186
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33774186&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	252.060 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	250.958 Da
Monoisotopic Mass	250.958 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	14
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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