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Ethyl 6-bromoisoquinoline-3-carboxylate - 97%, high purity , CAS No.882679-56-3

COA

Grade & Purity:

≥97%

Cas Number: 882679-56-3
Molecular Weight: 280.12
PubChem CID: 19370990

In stock

Item Number

E195519

Grouped product items
SKU	Size	Availability	Price	Qty
E195519-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
E195519-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90

Discover Ethyl 6-bromoisoquinoline-3-carboxylate by Aladdin Scientific in 97% for only $15.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Ethyl 6-bromoisoquinoline-3-carboxylate \| 882679-56-3 \| MFCD26793586 \| 6-Bromo-isoquinoline-3-carboxylic acid ethyl ester \| SCHEMBL5495291 \| DTXSID70598449 \| AKOS022171744 \| Ethyl6-bromoisoquinoline-3-carboxylate \| DS-5299 \| SY115298
Specifications & Purity	≥97%
Storage Temp	Room temperature
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 acid esters 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 ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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	ethyl 6-bromoisoquinoline-3-carboxylate
INCHI	InChI=1S/C12H10BrNO2/c1-2-16-12(15)11-6-9-5-10(13)4-3-8(9)7-14-11/h3-7H,2H2,1H3
InChIKey	IKTCJOSCOWAUPT-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=NC=C2C=CC(=CC2=C1)Br
Isomeric SMILES	CCOC(=O)C1=NC=C2C=CC(=CC2=C1)Br
Molecular Weight	280.12
Reaxy-Rn	35105070
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35105070&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	280.120 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	278.989 Da
Monoisotopic Mass	278.989 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	259.000
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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