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150849-53-9 | 1,3-Benzenedisulfonic acid, 4-[[2-(4-iodophenyl)diazenyl][2-(4-nitrophenyl)hydrazinylidene]methyl]-, sodium salt (1:1)
CAS No: 150849-53-9 Catalog No: AG001MWB MDL No:
Product Description
Catalog Number:
AG001MWB
Chemical Name:
1,3-Benzenedisulfonic acid, 4-[[2-(4-iodophenyl)diazenyl][2-(4-nitrophenyl)hydrazinylidene]methyl]-, sodium salt (1:1)
CAS Number:
150849-53-9
Molecular Formula:
C19H13IN5NaO8S2
Molecular Weight:
653.3595
IUPAC Name:
disodium;4-[(Z)-N'-(4-iodoanilino)-N-(4-nitrophenyl)iminocarbamimidoyl]benzene-1,3-disulfonate
InChI:
InChI=1S/C19H14IN5O8S2.2Na/c20-12-1-3-13(4-2-12)21-23-19(24-22-14-5-7-15(8-6-14)25(26)27)17-10-9-16(34(28,29)30)11-18(17)35(31,32)33;;/h1-11,21H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b23-19-,24-22?;;
InChI Key:
XOCLTAOZMZUHDM-HMBUVDKKSA-L
SMILES:
Ic1ccc(cc1)N=NC(=NNc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1S(=O)(=O)O)S(=O)(=O)[O-].[Na+]
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
674.897g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
675.336g/mol
Monoisotopic Mass:
674.897g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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