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69723-86-0 | 2,7-Naphthalenedisulfonicacid,5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-,sodium salt (1:2)
CAS No: 69723-86-0 Catalog No: AG005IRW MDL No:
Product Description
Catalog Number:
AG005IRW
Chemical Name:
2,7-Naphthalenedisulfonicacid,5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-,sodium salt (1:2)
CAS Number:
69723-86-0
Molecular Formula:
C19H11ClN8Na2O10S2
Molecular Weight:
656.9008
IUPAC Name:
disodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
InChI:
InChI=1S/C19H13ClN8O10S2.2Na/c20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;/h1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;/q;2*+1/p-2
InChI Key:
QVRFXMZQDWYBSU-UHFFFAOYSA-L
SMILES:
Nc1nc(nc(n1)Cl)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1cc(ccc1O)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
274-095-4
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
655.952g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
656.893g/mol
Monoisotopic Mass:
655.952g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
319A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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