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Home > Nitro Compounds > 84540-31-8
84540-31-8 | DISODIUM 8-HYDROXY-7-[(4-NITROPHENYL)AZO]NAPHTHALENE-1,6-DISULPHONATE
CAS No: 84540-31-8 Catalog No: AG0053WK MDL No:
Product Description
Catalog Number:
AG0053WK
Chemical Name:
DISODIUM 8-HYDROXY-7-[(4-NITROPHENYL)AZO]NAPHTHALENE-1,6-DISULPHONATE
CAS Number:
84540-31-8
Molecular Formula:
C16H9N3Na2O9S2
Molecular Weight:
497.3669
IUPAC Name:
sodium;8-hydroxy-7-[(4-nitrophenyl)diazenyl]naphthalene-1,6-disulfonic acid
InChI:
InChI=1S/C16H11N3O9S2.Na/c20-16-14-9(2-1-3-12(14)29(23,24)25)8-13(30(26,27)28)15(16)18-17-10-4-6-11(7-5-10)19(21)22;/h1-8,20H,(H,23,24,25)(H,26,27,28);/q;+1
InChI Key:
TYVJJYHBZVERDC-UHFFFAOYSA-N
SMILES:
Oc1c(N=Nc2ccc(cc2)[N+](=O)[O-])c(cc2c1c(ccc2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
283-123-4
NSC Number:
8647
Properties
Complexity:
879
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.983g/mol
Formal Charge:
1
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
476.386g/mol
Monoisotopic Mass:
475.983g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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