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70210-41-2 | 2-Naphthalenesulfonicacid,6-amino-5-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-,sodium salt (1:2)
CAS No: 70210-41-2 Catalog No: AG005KIF MDL No:
Product Description
Catalog Number:
AG005KIF
Chemical Name:
2-Naphthalenesulfonicacid,6-amino-5-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-,sodium salt (1:2)
CAS Number:
70210-41-2
Molecular Formula:
C19H13BrN4Na2O7S2
Molecular Weight:
599.3427
IUPAC Name:
disodium;6-amino-5-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C19H15BrN4O7S2.2Na/c1-10(20)19(25)22-12-3-7-17(33(29,30)31)16(9-12)23-24-18-14-5-4-13(32(26,27)28)8-11(14)2-6-15(18)21;;/h2-9H,1,21H2,(H,22,25)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2
InChI Key:
GGPXXBHMAMKMMH-UHFFFAOYSA-L
SMILES:
O=C(C(=C)Br)Nc1ccc(c(c1)/N=N/c1c(N)ccc2c1ccc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
274-438-8
Properties
Complexity:
966
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
597.92g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
599.338g/mol
Monoisotopic Mass:
597.92g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
211A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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