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Home > Nitro Compounds > 1643775-95-4
1643775-95-4 | 1-[(3-Nitrobenzenesulfonyl)azanidyl]pyridin-1-ium
CAS No: 1643775-95-4 Catalog No: AG01EUAQ MDL No:
Product Description
Catalog Number:
AG01EUAQ
Chemical Name:
1-[(3-Nitrobenzenesulfonyl)azanidyl]pyridin-1-ium
CAS Number:
1643775-95-4
Molecular Formula:
C11H10N3O4S+
Molecular Weight:
280.2798
IUPAC Name:
3-nitro-N-pyridin-1-ium-1-ylbenzenesulfonamide
InChI:
InChI=1S/C11H10N3O4S/c15-14(16)10-5-4-6-11(9-10)19(17,18)12-13-7-2-1-3-8-13/h1-9,12H/q+1
InChI Key:
RHGYUWJOMUZUKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N[n+]1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.039g/mol
Formal Charge:
1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.278g/mol
Monoisotopic Mass:
280.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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