Home Fluorides 1351659-00-1
1351659-00-1,MFCD16652990
Catalog No.:AA01AQH0
1351659-00-1 | 5-AZETIDIN-3-YL-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE HYDROCHLOR+
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Technical Information
Catalog Number:
AA01AQH0
Chemical Name:
5-AZETIDIN-3-YL-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE HYDROCHLOR+
CAS Number:
1351659-00-1
Molecular Formula:
C12H11ClF3N3O
Molecular Weight:
305.6834
MDL Number:
MFCD16652990
IUPAC Name:
5-(azetidin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C12H10F3N3O.ClH/c13-12(14,15)9-3-1-2-7(4-9)10-17-11(19-18-10)8-5-16-6-8;/h1-4,8,16H,5-6H2;1H
InChI Key:
RGGUKQUJNSEMRM-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)c1noc(n1)C1CNC1)(F)F.Cl
Properties
Computed Properties
 
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.054g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
305.685g/mol
Monoisotopic Mass:
305.054g/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-(trifluoromethyl)phenyl]-1,2,4-oxadiazole hydrochloride 
1351659-00-1 
AKOS026676895 
MCULE-7887753307 
L-3906 
F2145-0236 
Literature
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