200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 181819-97-6
181819-97-6 | Benzenesulfonic acid, 3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-
CAS No: 181819-97-6 Catalog No: AG002350 MDL No:
Product Description
Catalog Number:
AG002350
Chemical Name:
Benzenesulfonic acid, 3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-
CAS Number:
181819-97-6
Molecular Formula:
C16H14N4O7S2
Molecular Weight:
438.4350
IUPAC Name:
3-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C16H14N4O7S2/c1-10-15(18-17-11-3-2-4-14(9-11)29(25,26)27)16(21)20(19-10)12-5-7-13(8-6-12)28(22,23)24/h2-9,15H,1H3,(H,22,23,24)(H,25,26,27)
InChI Key:
USKZGRHKWIRPHB-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1N=Nc1cccc(c1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
897
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.03g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
438.429g/mol
Monoisotopic Mass:
438.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.