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4，6-Dichloroisoindolin-1-One - ≥97%, high purity , CAS No.74572-30-8

COA

Grade & Purity:

≥97%

Cas Number: 74572-30-8
Molecular Weight: 202.03
PubChem CID: 21162376

In stock

Item Number

D729970

Grouped product items
SKU	Size	Availability	Price	Qty
D729970-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90
D729970-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$308.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindolines
Intermediate Tree Nodes	Not available
Direct Parent	Isoindolones
Alternative Parents	Isoindoles Benzenoids Aryl chlorides Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoindolone - Isoindole - Aryl chloride - Aryl halide - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
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	4,6-dichloro-2,3-dihydroisoindol-1-one
INCHI	InChI=1S/C8H5Cl2NO/c9-4-1-5-6(7(10)2-4)3-11-8(5)12/h1-2H,3H2,(H,11,12)
InChIKey	QQNMVGPIDSWXTK-UHFFFAOYSA-N
Smiles	C1C2=C(C=C(C=C2Cl)Cl)C(=O)N1
Isomeric SMILES	C1C2=C(C=C(C=C2Cl)Cl)C(=O)N1
PubChem CID	21162376
Molecular Weight	202.03

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	202.030 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	200.975 Da
Monoisotopic Mass	200.975 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	209.000
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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