06B
Summary
| Name: | 3-bromo-2,6-dimethoxybenzoic acid |
| Formula: | C9 H9 Br O4 |
| Formal charge: | 0 |
| Formula weight: | 261.069 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromo-2,6-dimethoxybenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 3-bromanyl-2,6-dimethoxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(OC)c(c1OC)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9BrO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | CUQANLQRQJHIQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(Br)c(OC)c1C(O)=O |
| SMILES | CACTVS | 3.370 | COc1ccc(Br)c(OC)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(c(c1C(=O)O)OC)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(c(c1C(=O)O)OC)Br |
