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126513-98-2 | 2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-3-[2-[2-methoxy-4-(2-phenyldiazenyl)phenyl]diazenyl]-
CAS No: 126513-98-2 Catalog No: AG000SVN MDL No:
Product Description
Catalog Number:
AG000SVN
Chemical Name:
2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-3-[2-[2-methoxy-4-(2-phenyldiazenyl)phenyl]diazenyl]-
CAS Number:
126513-98-2
Molecular Formula:
C23H19N5O5S
Molecular Weight:
477.4925
IUPAC Name:
6-amino-4-hydroxy-3-[(2-methoxy-4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid
InChI:
InChI=1S/C23H19N5O5S/c1-33-20-13-17(26-25-16-5-3-2-4-6-16)9-10-19(20)27-28-22-21(34(30,31)32)11-14-7-8-15(24)12-18(14)23(22)29/h2-13,29H,24H2,1H3,(H,30,31,32)
InChI Key:
PINCCYGPVXQRGR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)N=Nc1ccccc1
Properties
Complexity:
828
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.111g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
477.495g/mol
Monoisotopic Mass:
477.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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