HuagongsheHuagongshe Chemistry Print Report · For research reference only
5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(m-bromobenzoyl)-6-methyl-
5-(3-Bromobenzoyl)-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid · 5H-1,3-Dioxolo[4,5-f]indole-7-acetic acid, 5-(3-bromobenzoyl)-6-methyl-
Identifiers & Physical Properties
| CAS No. | 50332-02-0 |
|---|---|
| Molecular formula | C19H14BrNO5 |
| Average molar mass | 416.2 g/mol |
| Monoisotopic mass | 415.00554 g/mol |
| SMILES | Cc1c(CC(=O)O)c2cc3c(cc2n1C(=O)c1cccc(Br)c1)OCO3 |
| InChIKey | RSHMNPPFIJILTR-UHFFFAOYSA-N |
| PubChem CID | 39613 |
| DTXSID | DTXSID90198349 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 77.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 572 |