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111248-75-0 | Benzenesulfonic acid, 4-hydroxy-3-[(8-hydroxy-5-quinolinyl)azo]-
CAS No: 111248-75-0 Catalog No: AG007TC0 MDL No:
Product Description
Catalog Number:
AG007TC0
Chemical Name:
Benzenesulfonic acid, 4-hydroxy-3-[(8-hydroxy-5-quinolinyl)azo]-
CAS Number:
111248-75-0
Molecular Formula:
C15H11N3O5S
Molecular Weight:
345.3299
IUPAC Name:
4-hydroxy-3-[(8-hydroxyquinolin-5-yl)diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C15H11N3O5S/c19-13-5-3-9(24(21,22)23)8-12(13)18-17-11-4-6-14(20)15-10(11)2-1-7-16-15/h1-8,19-20H,(H,21,22,23)
InChI Key:
RKEPMLHNFUZQPG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1N=Nc1ccc(c2c1cccn2)O)S(=O)(=O)O
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.042g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.329g/mol
Monoisotopic Mass:
345.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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