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25180-12-5 | 2-Naphthalenesulfonic acid, 6-amino-3-[2-[4-[2-(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxy-
CAS No: 25180-12-5 Catalog No: AG002QSM MDL No:
Product Description
Catalog Number:
AG002QSM
Chemical Name:
2-Naphthalenesulfonic acid, 6-amino-3-[2-[4-[2-(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxy-
CAS Number:
25180-12-5
Molecular Formula:
C24H22N6O5S
Molecular Weight:
506.5337
IUPAC Name:
6-amino-3-[[4-[(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
InChI:
InChI=1S/C24H22N6O5S/c1-13-9-20(21(35-2)12-19(13)28-27-17-7-5-15(25)6-8-17)29-30-23-22(36(32,33)34)10-14-3-4-16(26)11-18(14)24(23)31/h3-12,31H,25-26H2,1-2H3,(H,32,33,34)
InChI Key:
XEOHZCPNNCIHDP-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C
EC Number:
246-713-2
Properties
Complexity:
890
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.137g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
506.537g/mol
Monoisotopic Mass:
506.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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