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23481-33-6 | 2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-phenyldiazenyl)-
CAS No: 23481-33-6 Catalog No: AG002NDE MDL No:
Product Description
Catalog Number:
AG002NDE
Chemical Name:
2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-phenyldiazenyl)-
CAS Number:
23481-33-6
Molecular Formula:
C16H12N2O4S
Molecular Weight:
328.3425
IUPAC Name:
6-hydroxy-5-phenyldiazenylnaphthalene-2-sulfonic acid
InChI:
InChI=1S/C16H12N2O4S/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12/h1-10,19H,(H,20,21,22)
InChI Key:
GTRGJJDVSJFNTE-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.052g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.342g/mol
Monoisotopic Mass:
328.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Analysis of the metabolites of the sodium salt of 6-hydroxy-5-(phenylazo)-2-naphthalenesulfonic acid in Sprague-Dawley rat urine. | Journal of chromatography. B, Biomedical sciences and applications 20010425 |
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