200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 84682-07-5
84682-07-5 | [1,1'-Biphenyl]-2,2'-disulfonicacid,4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-
CAS No: 84682-07-5 Catalog No: AG004SS9 MDL No:
Product Description
Catalog Number:
AG004SS9
Chemical Name:
[1,1'-Biphenyl]-2,2'-disulfonicacid,4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-
CAS Number:
84682-07-5
Molecular Formula:
C32H26N8O14S4
Molecular Weight:
874.8540
IUPAC Name:
5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid
InChI:
InChI=1S/C32H26N8O14S4/c1-17-29(31(41)39(37-17)21-5-9-23(10-6-21)55(43,44)45)35-33-19-3-13-25(27(15-19)57(49,50)51)26-14-4-20(16-28(26)58(52,53)54)34-36-30-18(2)38-40(32(30)42)22-7-11-24(12-8-22)56(46,47)48/h3-16,29-30H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
InChI Key:
OLVWUHJTNDWHFJ-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=NC1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)O)C)c1ccc(cc1)S(=O)(=O)O
EC Number:
283-567-9
Properties
Complexity:
2010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
874.045g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
874.842g/mol
Monoisotopic Mass:
874.045g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
366A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.