AC1MIA7I
calcium 2-chloro-5-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
Also Known As: EINECS 287-903-5|Calcium 2-chloro-5-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate|Acetamide,N-[2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)-5-[(1-methylpropyl)amino]phenyl]|Benzenesulfonic acid,2-chloro-5-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-,calcium salt (1:1)|calcium 2-chloro-5-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate|Calcium 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulfonate|Calcium 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate|calcium,2-chloro-5-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
| Molecular Formula | C16H11CaClN4O7S2 |
|---|---|
| Molecular Weight | 509.93835 g/mol |
| LogP | 1.6424 |
| Topological Polar Surface Area | 171.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.93835 |
| Monoisotopic Mass | 509.93835 |
| Heavy Atoms | 31 |
| Complexity | 1312.9971 |
Chemical Identifiers
| CAS Number | 85605-12-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Ca+2] |
Product Overview
AC1MIA7I (CAS 85605-12-5), with molecular formula C16H11CaClN4O7S2 and molecular weight 509.93835 g/mol. IUPAC: calcium 2-chloro-5-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate.