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1417794-27-4 | Piperidine, 4-[(2,4-dichlorophenyl)thio]-, hydrochloride (1:1)
CAS No: 1417794-27-4 Catalog No: AG001H5A MDL No:MFCD22631641
Product Description
Catalog Number:
AG001H5A
Chemical Name:
Piperidine, 4-[(2,4-dichlorophenyl)thio]-, hydrochloride (1:1)
CAS Number:
1417794-27-4
Molecular Formula:
C11H14Cl3NS
Molecular Weight:
298.6596
MDL Number:
MFCD22631641
IUPAC Name:
4-(2,4-dichlorophenyl)sulfanylpiperidine;hydrochloride
InChI:
InChI=1S/C11H13Cl2NS.ClH/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
InChI Key:
ZVKOLGRBGHGECP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)SC1CCNCC1.Cl
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.65g/mol
Monoisotopic Mass:
296.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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