2B4
Summary
| Name: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID |
| Formula: | C9 H7 Br O5 |
| Formal charge: | 0 |
| Formula weight: | 275.053 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-bromophenoxy)propanedioic acid |
| OpenEye OEToolkits | 1.9.2 | 2-(4-bromanylphenoxy)propanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(OC(C(=O)O)C(=O)O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | GZMFZHIPGZSUHI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(Oc1ccc(Br)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C(Oc1ccc(Br)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1OC(C(=O)O)C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1OC(C(=O)O)C(=O)O)Br |
