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126485-26-5 | 2-Naphthalenesulfonic acid, 6-amino-3-[2-[2-butoxy-4-(2-phenyldiazenyl)phenyl]diazenyl]-4-hydroxy-
CAS No: 126485-26-5 Catalog No: AG000SUU MDL No:
Product Description
Catalog Number:
AG000SUU
Chemical Name:
2-Naphthalenesulfonic acid, 6-amino-3-[2-[2-butoxy-4-(2-phenyldiazenyl)phenyl]diazenyl]-4-hydroxy-
CAS Number:
126485-26-5
Molecular Formula:
C26H25N5O5S
Molecular Weight:
519.5722
IUPAC Name:
6-amino-3-[(2-butoxy-4-phenyldiazenylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
InChI:
InChI=1S/C26H25N5O5S/c1-2-3-13-36-23-16-20(29-28-19-7-5-4-6-8-19)11-12-22(23)30-31-25-24(37(33,34)35)14-17-9-10-18(27)15-21(17)26(25)32/h4-12,14-16,32H,2-3,13,27H2,1H3,(H,33,34,35)
InChI Key:
UAIWAWQKBIKSDW-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)N=Nc1ccccc1
Properties
Complexity:
875
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.158g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
519.576g/mol
Monoisotopic Mass:
519.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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