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Home > Nitro Compounds > 68833-61-4
68833-61-4 | disodium 5-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]phenyl]azo]salicylate
CAS No: 68833-61-4 Catalog No: AG00FPZ4 MDL No:
Product Description
Catalog Number:
AG00FPZ4
Chemical Name:
disodium 5-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]phenyl]azo]salicylate
CAS Number:
68833-61-4
IUPAC Name:
disodium;2-[[4-[(3-carboxy-4-oxidophenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-nitrobenzenesulfonate
InChI:
InChI=1S/C21H17N5O9S.2Na/c1-11-7-17(25-22-12-3-6-18(27)14(8-12)21(28)29)19(35-2)10-16(11)24-23-15-5-4-13(26(30)31)9-20(15)36(32,33)34;;/h3-10,27H,1-2H3,(H,28,29)(H,32,33,34);;/q;2*+1/p-2
InChI Key:
DJOAHDBMINEIHB-UHFFFAOYSA-L
EC Number:
272-405-2
Properties
Complexity:
937
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
559.039g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
559.417g/mol
Monoisotopic Mass:
559.039g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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