ZR0
Summary
| Name: | 4-bromobenzene-1,3-dicarboxylic acid |
| Formula: | C8 H5 Br O4 |
| Formal charge: | 0 |
| Formula weight: | 245.027 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromobenzene-1,3-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 4-bromanylbenzene-1,3-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1cc(ccc1Br)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | MSQIEZXCNYUWHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Br)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Br)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(=O)O)C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(=O)O)C(=O)O)Br |
