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6-Amino-7-bromo-2，3-dihydro-1H-inden-1-one - ≥95%, high purity , CAS No.681246-49-1

COA

Grade & Purity:

≥95%

Cas Number: 681246-49-1
Molecular Weight: 226.07
PubChem CID: 53422064

In stock

Item Number

A733615

Grouped product items
SKU	Size	Availability	Price
A733615-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$272.90
A733615-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$436.90
A733615-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,090.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Indanes
    - Subclass Indanones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indanes
Subclass	Indanones
Intermediate Tree Nodes	Not available
Direct Parent	Indanones
Alternative Parents	Aryl alkyl ketones 2-bromoanilines Aryl bromides Vinylogous halides Primary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Indanone - 2-bromoaniline - Aryl alkyl ketone - Aryl ketone - Aryl bromide - Aryl halide - Vinylogous halide - Ketone - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
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	6-amino-7-bromo-2,3-dihydroinden-1-one
INCHI	InChI=1S/C9H8BrNO/c10-9-6(11)3-1-5-2-4-7(12)8(5)9/h1,3H,2,4,11H2
InChIKey	VMRJYVAAFYLRCR-UHFFFAOYSA-N
Smiles	C1CC(=O)C2=C1C=CC(=C2Br)N
Isomeric SMILES	C1CC(=O)C2=C1C=CC(=C2Br)N
PubChem CID	53422064
Molecular Weight	226.07

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	226.070 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	224.979 Da
Monoisotopic Mass	224.979 Da
Topological Polar Surface Area	43.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	207.000
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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