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1351647-27-2,MFCD16652980
Catalog No.:AA01AQE3
1351647-27-2 | 5-Azetidin-3-yl-3-(3-chlorophenyl)-1,2,4-oxadiazole hydrochloride
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Technical Information
Catalog Number:
AA01AQE3
Chemical Name:
5-Azetidin-3-yl-3-(3-chlorophenyl)-1,2,4-oxadiazole hydrochloride
CAS Number:
1351647-27-2
Molecular Formula:
C11H11Cl2N3O
Molecular Weight:
272.1305
MDL Number:
MFCD16652980
IUPAC Name:
5-(azetidin-3-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C11H10ClN3O.ClH/c12-9-3-1-2-7(4-9)10-14-11(16-15-10)8-5-13-6-8;/h1-4,8,13H,5-6H2;1H
InChI Key:
CEVYVROZEUXPPW-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1noc(n1)C1CNC1.Cl
Properties
Computed Properties
 
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.028g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.129g/mol
Monoisotopic Mass:
271.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
5-azetidin-3-yl-3-(3-chlorophenyl)-1,2,4-oxadiazole hydrochloride 
1351647-27-2 
AKOS026676892 
MCULE-8057633403 
L-3904 
F2145-0223 
Literature
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