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Home > Nitro Compounds > 1417794-51-4
1417794-51-4 | Pyridine, 5-nitro-2-[(3-piperidinylmethyl)thio]-, hydrochloride (1:1)
CAS No: 1417794-51-4 Catalog No: AG001H5Y MDL No:
Product Description
Catalog Number:
AG001H5Y
Chemical Name:
Pyridine, 5-nitro-2-[(3-piperidinylmethyl)thio]-, hydrochloride (1:1)
CAS Number:
1417794-51-4
Molecular Formula:
C11H16ClN3O2S
Molecular Weight:
289.7816
IUPAC Name:
5-nitro-2-(piperidin-3-ylmethylsulfanyl)pyridine;hydrochloride
InChI:
InChI=1S/C11H15N3O2S.ClH/c15-14(16)10-3-4-11(13-7-10)17-8-9-2-1-5-12-6-9;/h3-4,7,9,12H,1-2,5-6,8H2;1H
InChI Key:
VOBBQVWOPPPUPZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)SCC1CCCNC1.Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.778g/mol
Monoisotopic Mass:
289.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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