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Home > Nitro Compounds > 219618-92-5
219618-92-5 | 2-[(3-nitro-2-pyridyl)thio]pyridinium-1-olate
CAS No: 219618-92-5 Catalog No: AG01CU3J MDL No:MFCD00117110
Product Description
Catalog Number:
AG01CU3J
Chemical Name:
2-[(3-nitro-2-pyridyl)thio]pyridinium-1-olate
CAS Number:
219618-92-5
Molecular Formula:
C10H7N3O3S
Molecular Weight:
249.2459
MDL Number:
MFCD00117110
IUPAC Name:
3-nitro-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine
InChI:
InChI=1S/C10H7N3O3S/c14-12-7-2-1-5-9(12)17-10-8(13(15)16)4-3-6-11-10/h1-7H
InChI Key:
ZIRKXGMRHFYXSD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1Sc1cccc[n+]1[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.244g/mol
Monoisotopic Mass:
249.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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