Name: (4-Chloropyridin-3-yl)methanol hydrochloride - ≥95% , CAS No.245124-17-8
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Pyridines and derivatives
Subclass	Pyridinium derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinium derivatives
Alternative Parents	Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Organic zwitterions Organic chloride salts Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Aryl halide - Pyridinium - Heteroaromatic compound - Azacycle - Alcohol - Organic chloride salt - Organic salt - Organic zwitterion - Aromatic alcohol - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	180.030 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	178.99 Da
Monoisotopic Mass	178.99 Da
Topological Polar Surface Area	33.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	89.100
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	2

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	C1=CN=CC(=C1Cl)CO.Cl
IUPAC Name	(4-chloropyridin-3-yl)methanol;hydrochloride
InChIKey	OPXGRFCMPCHNIY-UHFFFAOYSA-N
INCHI	1S/C6H6ClNO.ClH/c7-6-1-2-8-3-5(6)4-9;/h1-3,9H,4H2;1H
Isómeros SMILES	C1=CN=CC(=C1Cl)CO.Cl
Peso molecular	180.03
Reaxy-Rn	8339779
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8339779&ln=

(4-Chloropyridin-3-yl)methanol hydrochloride - ≥95% , CAS No.245124-17-8

Specifications