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1-chloro-3-methoxy-isoquinoline - 97%, high purity , CAS No.16535-95-8

COA

Grade & Purity:

≥97%

Cas Number: 16535-95-8
Molecular Weight: 193.63
PubChem CID: 22250271

In stock

Item Number

C630144

Grouped product items
SKU	Size	Availability	Price
C630144-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
C630144-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
C630144-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90
C630144-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

Basic Description

Synonyms	1-chloro-3-methoxyisoquinoline \| 16535-95-8 \| 1-chloro-3-methoxy-isoquinoline \| starbld0029618 \| SCHEMBL1536283 \| MFCD24848271 \| AKOS040694635 \| AS-79736 \| FT-0719159 \| P20621 \| F2147-8707
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	Alkyl aryl ethers 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen 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	1-chloro-3-methoxyisoquinoline
INCHI	InChI=1S/C10H8ClNO/c1-13-9-6-7-4-2-3-5-8(7)10(11)12-9/h2-6H,1H3
InChIKey	PBBOAYURNSIRSH-UHFFFAOYSA-N
Smiles	COC1=CC2=CC=CC=C2C(=N1)Cl
Isomeric SMILES	COC1=CC2=CC=CC=C2C(=N1)Cl
PubChem CID	22250271
Molecular Weight	193.63

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	193.630 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	193.029 Da
Monoisotopic Mass	193.029 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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