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113737-25-0 | 2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-(phenylsulfonyl)phenyl]diazenyl]-
CAS No: 113737-25-0 Catalog No: AG0009HS MDL No:
Product Description
Catalog Number:
AG0009HS
Chemical Name:
2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-(phenylsulfonyl)phenyl]diazenyl]-
CAS Number:
113737-25-0
Molecular Formula:
C22H17N3O5S2
Molecular Weight:
467.5175
IUPAC Name:
6-amino-5-[[2-(benzenesulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
InChI:
InChI=1S/C22H17N3O5S2/c23-19-13-10-15-14-17(32(28,29)30)11-12-18(15)22(19)25-24-20-8-4-5-9-21(20)31(26,27)16-6-2-1-3-7-16/h1-14H,23H2,(H,28,29,30)
InChI Key:
PDSNXDOPZJXYBH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1N=Nc1ccccc1S(=O)(=O)c1ccccc1)ccc(c2)S(=O)(=O)O
Properties
Complexity:
874
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.061g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.514g/mol
Monoisotopic Mass:
467.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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