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3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one - 97%, high purity , CAS No.1336955-89-5

COA

Grade & Purity:

≥97%

Cas Number: 1336955-89-5
Molecular Weight: 212.04
EC Number: 845-964-0
PubChem CID: 46864158

In stock

Item Number

B628328

Grouped product items
SKU	Size	Availability	Price
B628328-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$181.90
B628328-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
B628328-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
B628328-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$726.90
B628328-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,636.90

Basic Description

Synonyms	SCHEMBL16043515 \| 3-bromo-5H,6H,7H-cyclopenta[b]pyridin-7-one \| MFCD17014899 \| EN300-223877 \| SY204376 \| 1336955-89-5 \| AKOS027251394 \| FT-0753451 \| 3-BROMO-5H-CYCLOPENTA[B]PYRIDIN-7(6H)-ONE \| TWEMEGANYJCTRY-UHFFFAOYSA-N \| 3-Bromo-5,6-dihydro-[1]pyrindin-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl alkyl ketone - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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	3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one
INCHI	InChI=1S/C8H6BrNO/c9-6-3-5-1-2-7(11)8(5)10-4-6/h3-4H,1-2H2
InChIKey	TWEMEGANYJCTRY-UHFFFAOYSA-N
Smiles	C1CC(=O)C2=C1C=C(C=N2)Br
Isomeric SMILES	C1CC(=O)C2=C1C=C(C=N2)Br
Alternate CAS	1336955-89-5
PubChem CID	46864158
Molecular Weight	212.04

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.040 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	210.963 Da
Monoisotopic Mass	210.963 Da
Topological Polar Surface Area	30.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183.000
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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