IRA
Summary
| Name: | (5-bromo-2-methoxyphenyl)acetic acid |
| Formula: | C9 H9 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 245.07 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-bromo-2-methoxyphenyl)acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-(5-bromo-2-methoxy-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(c(OC)cc1)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(Br)cc1CC(O)=O |
| SMILES | CACTVS | 3.370 | COc1ccc(Br)cc1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1CC(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1CC(=O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C9H9BrO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | BBHBUJQFVCMESB-UHFFFAOYSA-N |
