AC1MI1ZG
2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid
Also Known As: EINECS 253-285-0|2-[azo]naphthalene-1-sulphonicacid|2-[ azo]naphthalene-1-sulphonicacid|2-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)naphthalene-1-sulphonic acid|2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid|2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]naphthalene-1-sulphonic acid|1-Naphthalenesulfonicacid, 2-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-|2-[(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid|2-[[(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol)-4-yl]azo]-1-naphthalenesulfonic acid|2-[2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazen-1-yl]naphthalene-1-sulfonic acid|2-[2-(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-1-naphthalenesulfonic acid
| Molecular Formula | C20H16N4O4S |
|---|---|
| Molecular Weight | 408.08923 g/mol |
| LogP | 3.9615 |
| Topological Polar Surface Area | 111.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.08923 |
| Monoisotopic Mass | 408.08923 |
| Heavy Atoms | 29 |
| Complexity | 1270.1406 |
Chemical Identifiers
| CAS Number | 36942-58-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC=CC=C4 |
Product Overview
AC1MI1ZG (CAS 36942-58-2), with molecular formula C20H16N4O4S and molecular weight 408.08923 g/mol. IUPAC: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid.