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3062-38-2 | 7-Quinolinesulfonic acid, 5-bromo-8-hydroxy-
CAS No: 3062-38-2 Catalog No: AG0030P3 MDL No:
Product Description
Catalog Number:
AG0030P3
Chemical Name:
7-Quinolinesulfonic acid, 5-bromo-8-hydroxy-
CAS Number:
3062-38-2
Molecular Formula:
C9H6BrNO4S
Molecular Weight:
304.1172
IUPAC Name:
5-bromo-8-hydroxyquinoline-7-sulfonic acid
InChI:
InChI=1S/C9H6BrNO4S/c10-6-4-7(16(13,14)15)9(12)8-5(6)2-1-3-11-8/h1-4,12H,(H,13,14,15)
InChI Key:
XWZCNMGJWOCRSM-UHFFFAOYSA-N
SMILES:
Oc1c2ncccc2c(cc1S(=O)(=O)O)Br
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.92g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.114g/mol
Monoisotopic Mass:
302.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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