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2-(3-Bromo-2，2-dimethylpropyl)isoindoline-1，3-dione - ≥95%, high purity , CAS No.111992-61-1

COA

Grade & Purity:

≥95%

Cas Number: 111992-61-1
Molecular Weight: 296.15
PubChem CID: 230357

In stock

Item Number

I696554

Grouped product items
SKU	Size	Availability	Price
I696554-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$74.90
I696554-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90
I696554-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$259.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindolines
      - Level5 Isoindolones
        Level6 Phthalimides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindolines
Intermediate Tree Nodes	Isoindolones
Direct Parent	Phthalimides
Alternative Parents	Isoindoles N-substituted carboxylic acid imides Benzenoids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Carboxylic acid derivative - Azacycle - Alkyl bromide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
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	2-(3-bromo-2,2-dimethylpropyl)isoindole-1,3-dione
INCHI	InChI=1S/C13H14BrNO2/c1-13(2,7-14)8-15-11(16)9-5-3-4-6-10(9)12(15)17/h3-6H,7-8H2,1-2H3
InChIKey	LQAHBCLEIHEEPN-UHFFFAOYSA-N
Smiles	CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)CBr
Isomeric SMILES	CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)CBr
PubChem CID	230357
Molecular Weight	296.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	296.160 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	295.021 Da
Monoisotopic Mass	295.021 Da
Topological Polar Surface Area	37.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	316.000
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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