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1417794-49-0 | Piperidine, 4-[(2,4-dichlorophenyl)sulfinyl]-, hydrochloride (1:1)
CAS No: 1417794-49-0 Catalog No: AG001H60 MDL No:MFCD22631626
Product Description
Catalog Number:
AG001H60
Chemical Name:
Piperidine, 4-[(2,4-dichlorophenyl)sulfinyl]-, hydrochloride (1:1)
CAS Number:
1417794-49-0
Molecular Formula:
C11H14Cl3NOS
Molecular Weight:
314.6590
MDL Number:
MFCD22631626
IUPAC Name:
4-(2,4-dichlorophenyl)sulfinylpiperidine;hydrochloride
InChI:
InChI=1S/C11H13Cl2NOS.ClH/c12-8-1-2-11(10(13)7-8)16(15)9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
InChI Key:
BDUNYJPMBMVUFR-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)S(=O)C1CCNCC1.Cl
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.649g/mol
Monoisotopic Mass:
312.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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