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1289387-34-3 | Piperidine, 4-[[(4-chlorophenyl)sulfonyl]methyl]-, hydrochloride (1:1)
CAS No: 1289387-34-3 Catalog No: AG000YML MDL No:
Product Description
Catalog Number:
AG000YML
Chemical Name:
Piperidine, 4-[[(4-chlorophenyl)sulfonyl]methyl]-, hydrochloride (1:1)
CAS Number:
1289387-34-3
Molecular Formula:
C12H17Cl2NO2S
Molecular Weight:
310.2399
IUPAC Name:
4-[(4-chlorophenyl)sulfonylmethyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H16ClNO2S.ClH/c13-11-1-3-12(4-2-11)17(15,16)9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChI Key:
FJIQRZJAUZBQLC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)CC1CCNCC1.Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.233g/mol
Monoisotopic Mass:
309.036g/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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