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Home > Nitro Compounds > 161617-43-2
161617-43-2 | 1,3-Benzenedisulfonic acid, 4-[[2-(2,4-dinitrophenyl)hydrazinylidene]methyl]-, sodium salt (1:2)
CAS No: 161617-43-2 Catalog No: AG001VQE MDL No:
Product Description
Catalog Number:
AG001VQE
Chemical Name:
1,3-Benzenedisulfonic acid, 4-[[2-(2,4-dinitrophenyl)hydrazinylidene]methyl]-, sodium salt (1:2)
CAS Number:
161617-43-2
Molecular Formula:
C13H8N4Na2O10S2
Molecular Weight:
490.3330
IUPAC Name:
disodium;4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-disulfonate
InChI:
InChI=1S/C13H10N4O10S2.2Na/c18-16(19)9-2-4-11(12(5-9)17(20)21)15-14-7-8-1-3-10(28(22,23)24)6-13(8)29(25,26)27;;/h1-7,15H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChI Key:
KRBGXZPLBAHPIL-UHFFFAOYSA-L
SMILES:
[O-][N+](=O)c1cc(ccc1NN=Cc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.948g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
490.325g/mol
Monoisotopic Mass:
489.948g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
247A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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