AG0026S3

179072-14-1 | 3-Pyridinecarboxylic acid, 5-(chloromethyl)-, methyl ester, hydrochloride (1:1)

AG0026S3

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CAS Number	179072-14-1
Catalog Number	AG0026S3(AGN-PC-0WAN26)
Chemical Name	3-Pyridinecarboxylic acid, 5-(chloromethyl)-, methyl ester, hydrochloride (1:1)
IUPAC Name	methyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
InChI	InChI=1S/C8H8ClNO2.ClH/c1-12-8(11)7-2-6(3-9)4-10-5-7;/h2,4-5H,3H2,1H3;1H
InChI Key	YTQKJVLJTRNZLE-UHFFFAOYSA-N
MDL Number	MFCD26383586
Molecular Formula	C8H9Cl2NO2
Molecular Weight	222.0686
SMILES	O=C(OC)C1=CN=CC(CCl)=C1.[H]Cl
Synonyms	Methyl 5-(chloromethyl)nicotinate hydrochloride, 179072-14-1, AK134747, SCHEMBL15065826, DTXSID60856469, YTQKJVLJTRNZLE-UHFFFAOYSA-N, KS-00000RL3, 9395AA, MFCD26383586, AKOS016842609, DS-4819, AX8256515, Methyl 5-(chloromethyl)pyridine-3-carboxylate--hydrogen chloride (1/1), 3-Pyridinecarboxylic acid, 5-(chloromethyl)-, methyl ester, hydrochloride (1:1), C8H9Cl2NO2, Methyl5-(chloromethyl)nicotinatehydrochloride, 1363404-84-5,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.001g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.065g/mol
Monoisotopic Mass	221.001g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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