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721922-90-3 | 5-Quinolinesulfonic acid, 8-hydroxy-7-iodo-, hydrochloride
CAS No: 721922-90-3 Catalog No: AG005VAY MDL No:
Product Description
Catalog Number:
AG005VAY
Chemical Name:
5-Quinolinesulfonic acid, 8-hydroxy-7-iodo-, hydrochloride
CAS Number:
721922-90-3
Molecular Formula:
C9H7ClINO4S
Molecular Weight:
387.5786
IUPAC Name:
8-hydroxy-7-iodoquinoline-5-sulfonic acid;hydrochloride
InChI:
InChI=1S/C9H6INO4S.ClH/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12;/h1-4,12H,(H,13,14,15);1H
InChI Key:
RDFVGFUBVNMJQN-UHFFFAOYSA-N
SMILES:
Ic1cc(c2c(c1O)nccc2)S(=O)(=O)O.Cl
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.883g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
387.572g/mol
Monoisotopic Mass:
386.883g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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