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2，2，2-Trichloro-1-(1H-pyrrolo[2，3-b]pyridin-3-yl)ethanone - ≥95%, high purity , CAS No.163220-69-7

COA

Grade & Purity:

≥95%

Cas Number: 163220-69-7
Molecular Weight: 263.51
PubChem CID: 57171336

In stock

Item Number

T734096

Grouped product items
SKU	Size	Availability	Price
T734096-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
T734096-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
T734096-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$189.90
T734096-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$455.90
T734096-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,589.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolopyridines
Alternative Parents	Aryl alkyl ketones Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Alpha-chloroketones Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyridine - Aryl ketone - Aryl alkyl ketone - Pyridine - Substituted pyrrole - Alpha-haloketone - Pyrrole - Alpha-chloroketone - Vinylogous amide - Heteroaromatic compound - Ketone - Azacycle - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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	2,2,2-trichloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
INCHI	InChI=1S/C9H5Cl3N2O/c10-9(11,12)7(15)6-4-14-8-5(6)2-1-3-13-8/h1-4H,(H,13,14)
InChIKey	PUVWKOWEOBZQCT-UHFFFAOYSA-N
Smiles	C1=CC2=C(NC=C2C(=O)C(Cl)(Cl)Cl)N=C1
Isomeric SMILES	C1=CC2=C(NC=C2C(=O)C(Cl)(Cl)Cl)N=C1
PubChem CID	57171336
Molecular Weight	263.51

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	263.500 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	261.947 Da
Monoisotopic Mass	261.947 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	267.000
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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