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Home > Nitro Compounds > 1286208-57-8
1286208-57-8 | (S)-5-Nitro-2-(pyrrolidin-3-yloxy)pyridine hydrochloride
CAS No: 1286208-57-8 Catalog No: AG01ERR5 MDL No:
Product Description
Catalog Number:
AG01ERR5
Chemical Name:
(S)-5-Nitro-2-(pyrrolidin-3-yloxy)pyridine hydrochloride
CAS Number:
1286208-57-8
Molecular Formula:
C9H12ClN3O3
Molecular Weight:
245.6629
IUPAC Name:
5-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
InChI:
InChI=1S/C9H11N3O3.ClH/c13-12(14)7-1-2-9(11-5-7)15-8-3-4-10-6-8;/h1-2,5,8,10H,3-4,6H2;1H/t8-;/m0./s1
InChI Key:
UIGNTUFZBQMBFZ-QRPNPIFTSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)O[C@@H]1CNCC1.Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.663g/mol
Monoisotopic Mass:
245.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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