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6-bromo-8-methoxy-isoquinoline - 97%, high purity , CAS No.1415564-97-4

COA

Grade & Purity:

≥97%

Cas Number: 1415564-97-4
Molecular Weight: 238.08
PubChem CID: 78358064

In stock

Item Number

B628995

Grouped product items
SKU	Size	Availability	Price
B628995-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$131.90
B628995-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90
B628995-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$391.90
B628995-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$673.90

Basic Description

Synonyms	6-bromo-8-methoxyisoquinoline \| 1415564-97-4 \| 6-bromo-8-methoxy-isoquinoline \| SCHEMBL23166970 \| MFCD22124579
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	Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - 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-bromo-8-methoxyisoquinoline
INCHI	InChI=1S/C10H8BrNO/c1-13-10-5-8(11)4-7-2-3-12-6-9(7)10/h2-6H,1H3
InChIKey	ZCDSNWILBJFPSI-UHFFFAOYSA-N
Smiles	COC1=C2C=NC=CC2=CC(=C1)Br
Isomeric SMILES	COC1=C2C=NC=CC2=CC(=C1)Br
PubChem CID	78358064
Molecular Weight	238.08

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	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	236.979 Da
Monoisotopic Mass	236.979 Da
Topological Polar Surface Area	22.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176.000
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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