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1417793-17-9 | Pyridine, 3-chloro-2-(3-piperidinylmethoxy)-5-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1417793-17-9 Catalog No: AG001H3B MDL No:MFCD22631682
Product Description
Catalog Number:
AG001H3B
Chemical Name:
Pyridine, 3-chloro-2-(3-piperidinylmethoxy)-5-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1417793-17-9
Molecular Formula:
C12H15Cl2F3N2O
Molecular Weight:
331.1615
MDL Number:
MFCD22631682
IUPAC Name:
3-chloro-2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
InChI:
InChI=1S/C12H14ClF3N2O.ClH/c13-10-4-9(12(14,15)16)6-18-11(10)19-7-8-2-1-3-17-5-8;/h4,6,8,17H,1-3,5,7H2;1H
InChI Key:
KSVZBQZYJJGSOB-UHFFFAOYSA-N
SMILES:
Clc1cc(cnc1OCC1CCCNC1)C(F)(F)F.Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.16g/mol
Monoisotopic Mass:
330.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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