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1289387-37-6

1289387-37-6 | Piperidine, 3-[[(4-chlorophenyl)sulfonyl]methyl]-, hydrochloride (1:1)

CAS No: 1289387-37-6 Catalog No: AG000YMK MDL No:

Product Description

Catalog Number:
AG000YMK
Chemical Name:
Piperidine, 3-[[(4-chlorophenyl)sulfonyl]methyl]-, hydrochloride (1:1)
CAS Number:
1289387-37-6
Molecular Formula:
C12H17Cl2NO2S
Molecular Weight:
310.2399
IUPAC Name:
3-[(4-chlorophenyl)sulfonylmethyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H16ClNO2S.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:
RIHZTMPBHFXAMZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(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:
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:
1  
Undefined Bond Stereocenter Count:
0

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