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101768-64-3 | Piperidine, 4-[(4-chlorophenyl)sulfonyl]-, hydrochloride (1:1)
CAS No: 101768-64-3 Catalog No: AG0005F5 MDL No:MFCD04115824
Product Description
Catalog Number:
AG0005F5
Chemical Name:
Piperidine, 4-[(4-chlorophenyl)sulfonyl]-, hydrochloride (1:1)
CAS Number:
101768-64-3
Molecular Formula:
C11H15Cl2NO2S
Molecular Weight:
296.2133
MDL Number:
MFCD04115824
IUPAC Name:
4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride
InChI:
InChI=1S/C11H14ClNO2S.ClH/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
InChI Key:
SJYLTDPLFVFHFC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)C1CCNCC1.Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.206g/mol
Monoisotopic Mass:
295.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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