AC1NRMDB
ethyl 6-bromo-2-[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylmethyl]-5-methoxy-1-methylindole-3-carboxylate
Also Known As: ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate|ethyl 6-bromo-2-[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylmethyl]-5-methoxy-1-methylindole-3-carboxylate
CAS: 5839-89-4
| Molecular Formula | C20H16BrCl2NO5S |
|---|---|
| Molecular Weight | 530.93097 g/mol |
| LogP | 5.0842 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.93097 |
| Monoisotopic Mass | 530.93097 |
| Heavy Atoms | 30 |
| Complexity | 1152.0037 |
Chemical Identifiers
| CAS Number | 5839-89-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC(=O)C(=C(C3=O)Cl)Cl |
Product Overview
AC1NRMDB (CAS 5839-89-4), with molecular formula C20H16BrCl2NO5S and molecular weight 530.93097 g/mol. IUPAC: ethyl 6-bromo-2-[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylmethyl]-5-methoxy-1-methylindole-3-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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