AC1MI7Q1
4-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: EINECS 285-790-7|4-(4-((5-Chloro-2-(2-chlorophenoxy)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid|4-[4-[[5-CHLORO-2-(2-CHLOROPHENOXY)PHENYL]AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID|4-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid|4-(4-{2-[5-chloro-2-(2-chlorophenoxy)phenyl]diazen-1-yl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid|4-[[4-[[5-Chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid|4-[4-[[5-chloro-2- phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonicacid|4-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid|4-[4-[2-[5-Chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
| Molecular Formula | C22H16Cl2N4O5S |
|---|---|
| Molecular Weight | 518.02185 g/mol |
| LogP | 5.9074 |
| Topological Polar Surface Area | 120.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.02185 |
| Monoisotopic Mass | 518.02185 |
| Heavy Atoms | 34 |
| Complexity | 1425.4624 |
Chemical Identifiers
| CAS Number | 85136-65-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3Cl)C4=CC=C(C=C4)S(=O)(=O)O |
Product Overview
AC1MI7Q1 (CAS 85136-65-8), with molecular formula C22H16Cl2N4O5S and molecular weight 518.02185 g/mol. IUPAC: 4-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.