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Home > Nitro Compounds > 1417789-69-5
1417789-69-5 | Pyridine, 3-nitro-2-[(3R)-3-pyrrolidinylthio]-, hydrochloride (1:1)
CAS No: 1417789-69-5 Catalog No: AG001H2G MDL No:MFCD22631735
Product Description
Catalog Number:
AG001H2G
Chemical Name:
Pyridine, 3-nitro-2-[(3R)-3-pyrrolidinylthio]-, hydrochloride (1:1)
CAS Number:
1417789-69-5
Molecular Formula:
C9H12ClN3O2S
Molecular Weight:
261.7285
MDL Number:
MFCD22631735
IUPAC Name:
3-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
InChI:
InChI=1S/C9H11N3O2S.ClH/c13-12(14)8-2-1-4-11-9(8)15-7-3-5-10-6-7;/h1-2,4,7,10H,3,5-6H2;1H/t7-;/m1./s1
InChI Key:
GWWDIJXXSBZKGG-OGFXRTJISA-N
SMILES:
[O-][N+](=O)c1cccnc1S[C@H]1CNCC1.Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
261.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.724g/mol
Monoisotopic Mass:
261.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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