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1-(6-Chloro-pyridin-3-yl)-cyclopropanecarboxylic acid - ≥97%, high purity , CAS No.854267-90-6

COA

Grade & Purity:

≥97%

Cas Number: 854267-90-6
EC Number: 889-866-6
MDL number: MFCD13188887
PubChem CID: 59216308

In stock

Item Number

C770417

Grouped product items
SKU	Size	Availability	Price
C770417-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$178.90
C770417-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$809.90
C770417-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,466.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Halopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	2-halopyridines
Alternative Parents	Cyclopropanecarboxylic acids Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyridine - Aryl chloride - Aryl halide - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
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	1-(6-chloropyridin-3-yl)cyclopropane-1-carboxylic acid
INCHI	InChI=1S/C9H8ClNO2/c10-7-2-1-6(5-11-7)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKey	ZJNKQXKFPFVZIU-UHFFFAOYSA-N
Smiles	C1CC1(C2=CN=C(C=C2)Cl)C(=O)O
Isomeric SMILES	C1CC1(C2=CN=C(C=C2)Cl)C(=O)O
Alternate CAS	854267-90-6
PubChem CID	59216308

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	197.620 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	197.024 Da
Monoisotopic Mass	197.024 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	228.000
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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