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1-bromo-7-chloroisoquinoline - ≥95%, high purity , CAS No.1196155-73-3

COA

Grade & Purity:

≥95%

Cas Number: 1196155-73-3
Molecular Weight: 242.5
PubChem CID: 70680391

In stock

Item Number

B734754

Grouped product items
SKU	Size	Availability	Price	Qty
B734754-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,135.90

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	2-halopyridines Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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-bromo-7-chloroisoquinoline
INCHI	InChI=1S/C9H5BrClN/c10-9-8-5-7(11)2-1-6(8)3-4-12-9/h1-5H
InChIKey	OOPNOHVOHJARSZ-UHFFFAOYSA-N
Smiles	C1=CC(=CC2=C1C=CN=C2Br)Cl
Isomeric SMILES	C1=CC(=CC2=C1C=CN=C2Br)Cl
PubChem CID	70680391
Molecular Weight	242.5

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.500 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	240.929 Da
Monoisotopic Mass	240.929 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165.000
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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