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83006-63-7 | 1-Naphthalenesulfonicacid, 6-[2-(4-aminophenyl)diazenyl]-5-hydroxy-, ammonium salt (1:1)
CAS No: 83006-63-7 Catalog No: AG004YGR MDL No:
Product Description
Catalog Number:
AG004YGR
Chemical Name:
1-Naphthalenesulfonicacid, 6-[2-(4-aminophenyl)diazenyl]-5-hydroxy-, ammonium salt (1:1)
CAS Number:
83006-63-7
Molecular Formula:
C16H16N4O4S
Molecular Weight:
360.3876
IUPAC Name:
azanium;6-[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonate
InChI:
InChI=1S/C16H13N3O4S.H3N/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23;/h1-9,20H,17H2,(H,21,22,23);1H3
InChI Key:
LXNOSKSMVWPBCO-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N=Nc1ccc2c(c1O)cccc2S(=O)(=O)[O-].[NH4+]
EC Number:
280-113-1
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.388g/mol
Monoisotopic Mass:
360.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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