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72139-03-8

72139-03-8 | 2-[[2,4-Dihydroxy-3-[(4-nitrophenyl)azo]-5-[(4-sulfophenyl)azo]phenyl]azo]-5-nitrobenzenesulfonic acid

CAS No: 72139-03-8 Catalog No: AG00FP28 MDL No:

Product Description

Catalog Number:
AG00FP28
Chemical Name:
2-[[2,4-Dihydroxy-3-[(4-nitrophenyl)azo]-5-[(4-sulfophenyl)azo]phenyl]azo]-5-nitrobenzenesulfonic acid
CAS Number:
72139-03-8
IUPAC Name:
5-nitro-2-[[5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxo-3-[(4-sulfophenyl)hydrazinylidene]cyclohexen-1-yl]diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C24H16N8O12S2/c33-23-19(28-25-14-3-8-17(9-4-14)45(39,40)41)12-20(24(34)22(23)30-26-13-1-5-15(6-2-13)31(35)36)29-27-18-10-7-16(32(37)38)11-21(18)46(42,43)44/h1-12,25-26H,(H,39,40,41)(H,42,43,44)
InChI Key:
JDRCEDCYPFHGEO-UHFFFAOYSA-N

Properties

Complexity:
1550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
672.033g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
672.556g/mol
Monoisotopic Mass:
672.033g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
325A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
2.8  

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