200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87496-51-3
87496-51-3 | Benzoic acid, 2-[[phenyl[(4-sulfophenyl)hydrazono]methyl]azo]-
CAS No: 87496-51-3 Catalog No: AG004FKF MDL No:
Product Description
Catalog Number:
AG004FKF
Chemical Name:
Benzoic acid, 2-[[phenyl[(4-sulfophenyl)hydrazono]methyl]azo]-
CAS Number:
87496-51-3
Molecular Formula:
C20H16N4O5S
Molecular Weight:
424.4298
IUPAC Name:
2-[[C-phenyl-N-(4-sulfoanilino)carbonimidoyl]diazenyl]benzoic acid
InChI:
InChI=1S/C20H16N4O5S/c25-20(26)17-8-4-5-9-18(17)22-24-19(14-6-2-1-3-7-14)23-21-15-10-12-16(13-11-15)30(27,28)29/h1-13,21H,(H,25,26)(H,27,28,29)
InChI Key:
IKWWCDYBWKAQNS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N=NC(=NNc1ccc(cc1)S(=O)(=O)O)c1ccccc1
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.084g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
424.431g/mol
Monoisotopic Mass:
424.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.