AG00DD3C

50737-35-4 | 4-[5-(CHLOROMETHYL)-1,2,4-OXADIAZOL-3-YL]PYRIDINE

AG00DD3C

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CAS Number	50737-35-4
Catalog Number	AG00DD3C(AGN-PC-03XAMK)
Chemical Name	4-[5-(CHLOROMETHYL)-1,2,4-OXADIAZOL-3-YL]PYRIDINE
IUPAC Name	5-(chloromethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
InChI	InChI=1S/C8H6ClN3O/c9-5-7-11-8(12-13-7)6-1-3-10-4-2-6/h1-4H,5H2
InChI Key	TTYRVRZPJAJSGJ-UHFFFAOYSA-N
MDL Number	MFCD09034189
Molecular Formula	C8H6ClN3O
Molecular Weight	195.6057
SMILES	N1=C(CCl)ON=C1C1C=CN=CC=1
Synonyms	50737-35-4, 4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]pyridine, 5-(Chloromethyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole, SCHEMBL4288756, CTK4J3075, DTXSID70629722, TTYRVRZPJAJSGJ-UHFFFAOYSA-N, ALBB-004223, 4494AE, MFCD09034189, SBB018929, STK503012, ZINC14988241, AKOS000172727, AJ-66632, AM803973, AB1007451, TR-018135, FT-0678972, Y-4788, 4-(5-Chloromethyl-1,2,4-oxadiazol-3-yl)pyridine, 5-(chloromethyl)-3-(4-pyridyl)-1,2,4-oxadiazole, 5-(chloromethyl)-3-pyridin-4-yl-1,2,4-oxadiazole, I02-4604, Pyridine, 4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-, 4-(5-Chloromethyl-1,2,4-oxadiazol-3-yl)pyridine, AldrichCPR, null, C8H6ClN3O, 1-(3-pyridinylmethyl)-3-piperidinamine,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.606g/mol
Monoisotopic Mass	195.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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