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Acid Brown 98

CAS No.:
12269-88-4
Catalog Number:
AG009AHF
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009AHF
Chemical Name:
Acid Brown 98
CAS Number:
12269-88-4
IUPAC Name:
4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid;iron
InChI:
InChI=1S/3C16H13N5O7S.Fe/c3*1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h3*2-8,15,22H,1H3,(H,26,27,28);
InChI Key:
TUZLXNUBZFOJJL-UHFFFAOYSA-N
EC Number:
602-812-6
Properties
Complexity:
811  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1313.096g/mol
Formal Charge:
0
Heavy Atom Count:
88  
Hydrogen Bond Acceptor Count:
30  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
1313.949g/mol
Monoisotopic Mass:
1313.096g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
559A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
Properties