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1289385-78-9 | Piperidine, 3-[[(4-fluorophenyl)thio]methyl]-, hydrochloride (1:1)
CAS No: 1289385-78-9 Catalog No: AG000YLC MDL No:MFCD18837558
Product Description
Catalog Number:
AG000YLC
Chemical Name:
Piperidine, 3-[[(4-fluorophenyl)thio]methyl]-, hydrochloride (1:1)
CAS Number:
1289385-78-9
Molecular Formula:
C12H17ClFNS
Molecular Weight:
261.7865
MDL Number:
MFCD18837558
IUPAC Name:
3-[(4-fluorophenyl)sulfanylmethyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H16FNS.ClH/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10;/h3-6,10,14H,1-2,7-9H2;1H
InChI Key:
KOLDOKJVNIYCNZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SCC1CCCNC1.Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.783g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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