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Home > Fluorides > 1361113-40-7
1361113-40-7 | 2-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride
CAS No: 1361113-40-7 Catalog No: AG01F59B MDL No:
Product Description
Catalog Number:
AG01F59B
Chemical Name:
2-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride
CAS Number:
1361113-40-7
Molecular Formula:
C8H11ClF3N3O
Molecular Weight:
257.6406
IUPAC Name:
3-piperidin-2-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;/h5,12H,1-4H2;1H
InChI Key:
ASZYTLDYPZQUKO-UHFFFAOYSA-N
SMILES:
FC(c1onc(n1)C1CCCCN1)(F)F.Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.641g/mol
Monoisotopic Mass:
257.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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