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1417794-00-3 | Pyridine, 2-bromo-6-[(3-piperidinylmethyl)thio]-, hydrochloride (1:1)
CAS No: 1417794-00-3 Catalog No: AG001H4D MDL No:
Product Description
Catalog Number:
AG001H4D
Chemical Name:
Pyridine, 2-bromo-6-[(3-piperidinylmethyl)thio]-, hydrochloride (1:1)
CAS Number:
1417794-00-3
Molecular Formula:
C11H16BrClN2S
Molecular Weight:
323.6801
IUPAC Name:
2-bromo-6-(piperidin-3-ylmethylsulfanyl)pyridine;hydrochloride
InChI:
InChI=1S/C11H15BrN2S.ClH/c12-10-4-1-5-11(14-10)15-8-9-3-2-6-13-7-9;/h1,4-5,9,13H,2-3,6-8H2;1H
InChI Key:
FPUQLBDQSBYEHM-UHFFFAOYSA-N
SMILES:
Brc1cccc(n1)SCC1CCCNC1.Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.677g/mol
Monoisotopic Mass:
321.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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