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1009562-65-5,MFCD16087762
Catalog No.:AA00037R
1009562-65-5 | Pyridine, 2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-
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Technical Information
Catalog Number:
AA00037R
Chemical Name:
Pyridine, 2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-
CAS Number:
1009562-65-5
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
MDL Number:
MFCD16087762
IUPAC Name:
5-(chloromethyl)-3-(3-methylpyridin-2-yl)-1,2,4-oxadiazole
InChI:
InChI=1S/C9H8ClN3O/c1-6-3-2-4-11-8(6)9-12-7(5-10)14-13-9/h2-4H,5H2,1H3
InChI Key:
ZUKNFFCEKLPQGR-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)c1ncccc1C
Properties
Computed Properties
 
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.633g/mol
Monoisotopic Mass:
209.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1009562-65-5 
2-(5-Chloromethyl-1,2,4-oxadiazol-3-yl)-3-methylpyridine 
ACN-039082 
2-(5-Chloromethyl-[1,2,4]oxadiazol-3-yl)-3-methyl-pyridine 
5-(chloromethyl)-3-(3-methylpyridin-2-yl)-1,2,4-oxadiazole 
MFCD16087762 
ZINC43616007 
AKOS010984063 
AS-39915 
2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridine 
Pyridine, 2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-3-methyl- 
2-(5-Chloromethyl-1,2,4-oxadiazol-3-yl)-3-methylpyridine, AldrichCPR 
Literature
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