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1417794-23-0 | Pyridine, 3-chloro-2-(4-piperidinyloxy)-5-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1417794-23-0 Catalog No: AG001H5C MDL No:
Product Description
Catalog Number:
AG001H5C
Chemical Name:
Pyridine, 3-chloro-2-(4-piperidinyloxy)-5-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1417794-23-0
Molecular Formula:
C11H13Cl2F3N2O
Molecular Weight:
317.1349
IUPAC Name:
3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine;hydrochloride
InChI:
InChI=1S/C11H12ClF3N2O.ClH/c12-9-5-7(11(13,14)15)6-17-10(9)18-8-1-3-16-4-2-8;/h5-6,8,16H,1-4H2;1H
InChI Key:
DBJQGGQITMSNOJ-UHFFFAOYSA-N
SMILES:
Clc1cc(cnc1OC1CCNCC1)C(F)(F)F.Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.133g/mol
Monoisotopic Mass:
316.036g/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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