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1236458-57-3 | 2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine dihydrochloride
CAS No: 1236458-57-3 Catalog No: AG01FM0S MDL No:MFCD16653296
Product Description
Catalog Number:
AG01FM0S
Chemical Name:
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine dihydrochloride
CAS Number:
1236458-57-3
Molecular Formula:
C11H15Cl2F3N2O
Molecular Weight:
319.1508
MDL Number:
MFCD16653296
IUPAC Name:
2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine;dihydrochloride
InChI:
InChI=1S/C11H13F3N2O.2ClH/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9;;/h1-2,7,9,15H,3-6H2;2*1H
InChI Key:
GRFWCYYBABUSRT-UHFFFAOYSA-N
SMILES:
FC(c1ccc(nc1)OC1CCNCC1)(F)F.Cl.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
319.149g/mol
Monoisotopic Mass:
318.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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