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Home > Nitro Compounds > 854694-82-9
854694-82-9 | 8-Quinolinesulfonicacid, 5-nitro-
CAS No: 854694-82-9 Catalog No: AG004NAI MDL No:
Product Description
Catalog Number:
AG004NAI
Chemical Name:
8-Quinolinesulfonicacid, 5-nitro-
CAS Number:
854694-82-9
Molecular Formula:
C9H6N2O5S
Molecular Weight:
254.2193
IUPAC Name:
5-nitroquinoline-8-sulfonic acid
InChI:
InChI=1S/C9H6N2O5S/c12-11(13)7-3-4-8(17(14,15)16)9-6(7)2-1-5-10-9/h1-5H,(H,14,15,16)
InChI Key:
OTHUYKYSKHOXKZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cccn2)S(=O)(=O)O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.216g/mol
Monoisotopic Mass:
254g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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