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1393330-68-1 | 3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride
CAS No: 1393330-68-1 Catalog No: AG01F4MX MDL No:
Product Description
Catalog Number:
AG01F4MX
Chemical Name:
3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride
CAS Number:
1393330-68-1
Molecular Formula:
C9H13ClF3N3O
Molecular Weight:
271.6672
IUPAC Name:
5-piperidin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C9H12F3N3O.ClH/c10-9(11,12)4-7-14-8(16-15-7)6-2-1-3-13-5-6;/h6,13H,1-5H2;1H
InChI Key:
UGELRRRYPHQVIM-UHFFFAOYSA-N
SMILES:
FC(Cc1noc(n1)C1CCCNC1)(F)F.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.668g/mol
Monoisotopic Mass:
271.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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