AG002E59

189936-27-4 | 3-Pyridinecarbonitrile, 5-(chloromethyl)-, hydrochloride (1:1)

AG002E59

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CAS Number	189936-27-4
Catalog Number	AG002E59(AGN-PC-0QJBUH)
Chemical Name	3-Pyridinecarbonitrile, 5-(chloromethyl)-, hydrochloride (1:1)
IUPAC Name	5-(chloromethyl)pyridine-3-carbonitrile;hydrochloride
InChI	InChI=1S/C7H5ClN2.ClH/c8-2-6-1-7(3-9)5-10-4-6;/h1,4-5H,2H2;1H
InChI Key	JBHXSCWBUYDTDR-UHFFFAOYSA-N
MDL Number	MFCD28252259
Molecular Formula	C7H6Cl2N2
Molecular Weight	189.0419
SMILES	N#CC1=CN=CC(CCl)=C1.[H]Cl
Synonyms	5-(Chloromethyl)nicotinonitrile hydrochloride, 189936-27-4, SCHEMBL5741010, MFCD28252259, AK164038, AX8270621, 3-Pyridinecarbonitrile, 5-(chloromethyl)-, hydrochloride (1:1),

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.991g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.039g/mol
Monoisotopic Mass	187.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.7A^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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