Home Fluorides 1351584-79-6
1351584-79-6,MFCD16652995
Catalog No.:AA01AQIJ
1351584-79-6 | 5-AZETIDIN-3-YL-3-[3-(TRIFLUOROMETHOXY)PHENYL]-1,2,4-OXADIAZOLE HYDROCHLO+
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Technical Information
Catalog Number:
AA01AQIJ
Chemical Name:
5-AZETIDIN-3-YL-3-[3-(TRIFLUOROMETHOXY)PHENYL]-1,2,4-OXADIAZOLE HYDROCHLO+
CAS Number:
1351584-79-6
Molecular Formula:
C12H11ClF3N3O2
Molecular Weight:
321.6828
MDL Number:
MFCD16652995
IUPAC Name:
5-(azetidin-3-yl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C12H10F3N3O2.ClH/c13-12(14,15)19-9-3-1-2-7(4-9)10-17-11(20-18-10)8-5-16-6-8;/h1-4,8,16H,5-6H2;1H
InChI Key:
DOIWLUQRMYVACC-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1)c1noc(n1)C1CNC1)(F)F.Cl
Properties
Computed Properties
 
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.049g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.684g/mol
Monoisotopic Mass:
321.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
5-azetidin-3-yl-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole hydrochloride 
1351584-79-6 
AKOS026676896 
MCULE-9767599635 
L-4290 
F2145-0249 
Literature
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