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Home > Fluorides > 1417793-33-9
1417793-33-9 | Piperidine, 4-[[(3-fluorophenyl)sulfonyl]methyl]-, hydrochloride (1:1)
CAS No: 1417793-33-9 Catalog No: AG001H33 MDL No:
Product Description
Catalog Number:
AG001H33
Chemical Name:
Piperidine, 4-[[(3-fluorophenyl)sulfonyl]methyl]-, hydrochloride (1:1)
CAS Number:
1417793-33-9
Molecular Formula:
C12H17ClFNO2S
Molecular Weight:
293.7853
IUPAC Name:
4-[(3-fluorophenyl)sulfonylmethyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H16FNO2S.ClH/c13-11-2-1-3-12(8-11)17(15,16)9-10-4-6-14-7-5-10;/h1-3,8,10,14H,4-7,9H2;1H
InChI Key:
KHVMPAUPXBJNLL-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)S(=O)(=O)CC1CCNCC1.Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.781g/mol
Monoisotopic Mass:
293.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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