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5,8-dichloro-3,4-dihydro-2H-isoquinolin-1-one - 97%, high purity , CAS No.1616289-34-9

COA

Grade & Purity:

≥97%

Cas Number: 1616289-34-9
Molecular Weight: 216.06
PubChem CID: 86723726

In stock

Item Number

D629850

Grouped product items
SKU	Size	Availability	Price
D629850-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$194.90
D629850-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$311.90
D629850-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$519.90
D629850-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$779.90
D629850-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,901.90

Basic Description

Synonyms	5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one \| 1616289-34-9 \| 5,8-dichloro-3,4-dihydro-2H-isoquinolin-1-one \| SCHEMBL15814364 \| FT-0769408 \| C91338
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Isoquinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolones and derivatives
Alternative Parents	Tetrahydroisoquinolines Benzenoids Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Tetrahydroisoquinoline - Aryl chloride - Aryl halide - Benzenoid - Vinylogous halide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
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	5,8-dichloro-3,4-dihydro-2H-isoquinolin-1-one
INCHI	InChI=1S/C9H7Cl2NO/c10-6-1-2-7(11)8-5(6)3-4-12-9(8)13/h1-2H,3-4H2,(H,12,13)
InChIKey	PWUFZDFHINBNCE-UHFFFAOYSA-N
Smiles	C1CNC(=O)C2=C(C=CC(=C21)Cl)Cl
Isomeric SMILES	C1CNC(=O)C2=C(C=CC(=C21)Cl)Cl
PubChem CID	86723726
Molecular Weight	216.06

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	216.060 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	214.99 Da
Monoisotopic Mass	214.99 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222.000
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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