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1426291-15-7,MFCD16652979
Catalog No.:AA01AQE2
1426291-15-7 | 5-AZETIDIN-3-YL-3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOLE HYDROCHLORIDE
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Technical Information
Catalog Number:
AA01AQE2
Chemical Name:
5-AZETIDIN-3-YL-3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOLE HYDROCHLORIDE
CAS Number:
1426291-15-7
Molecular Formula:
C11H11Cl2N3O
Molecular Weight:
272.1305
MDL Number:
MFCD16652979
IUPAC Name:
5-(azetidin-3-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C11H10ClN3O.ClH/c12-9-3-1-7(2-4-9)10-14-11(16-15-10)8-5-13-6-8;/h1-4,8,13H,5-6H2;1H
InChI Key:
RFUHTVCOLGZSMA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1noc(n1)C1CNC1.Cl
Properties
Computed Properties
 
Complexity:
241  
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-(4-chlorophenyl)-1,2,4-oxadiazole hydrochloride 
1426291-15-7 
AKOS026746154 
F2145-0222 
Literature
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