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Home > Nitro Compounds > 72152-59-1
72152-59-1 | Benzoic acid,2,4-dihydroxy-5-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-, sodium salt(1:2)
CAS No: 72152-59-1 Catalog No: AG005JSW MDL No:
Product Description
Catalog Number:
AG005JSW
Chemical Name:
Benzoic acid,2,4-dihydroxy-5-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-, sodium salt(1:2)
CAS Number:
72152-59-1
Molecular Formula:
C13H7N3Na2O10S
Molecular Weight:
443.2533
IUPAC Name:
disodium;3-[(5-carboxy-2,4-dihydroxyphenyl)diazenyl]-5-nitro-4-oxidobenzenesulfonate
InChI:
InChI=1S/C13H9N3O10S.2Na/c17-10-4-11(18)7(3-6(10)13(20)21)14-15-8-1-5(27(24,25)26)2-9(12(8)19)16(22)23;;/h1-4,17-19H,(H,20,21)(H,24,25,26);;/q;2*+1/p-2
InChI Key:
DRNABAUJRSESTF-UHFFFAOYSA-L
SMILES:
Oc1cc(O)c(cc1N=Nc1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]
EC Number:
276-412-1
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.965g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
443.25g/mol
Monoisotopic Mass:
442.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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