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1289388-58-4 | Piperidine, 3-[[(4-fluorophenyl)sulfonyl]methyl]-, hydrochloride (1:1)
CAS No: 1289388-58-4 Catalog No: AG000YOK MDL No:
Product Description
Catalog Number:
AG000YOK
Chemical Name:
Piperidine, 3-[[(4-fluorophenyl)sulfonyl]methyl]-, hydrochloride (1:1)
CAS Number:
1289388-58-4
Molecular Formula:
C12H17ClFNO2S
Molecular Weight:
293.7853
IUPAC Name:
3-[(4-fluorophenyl)sulfonylmethyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H16FNO2S.ClH/c13-11-3-5-12(6-4-11)17(15,16)9-10-2-1-7-14-8-10;/h3-6,10,14H,1-2,7-9H2;1H
InChI Key:
KUNVJZAHJALGKC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)S(=O)(=O)CC1CCCNC1.Cl
Properties
Complexity:
331
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:
1
Undefined Bond Stereocenter Count:
0
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