3BZ
Summary
| Name: | 3-chlorobenzoate |
| Formula: | C7 H5 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 156.566 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-chlorobenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-chlorobenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc(Cl)ccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cccc(Cl)c1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | InChI | 1.03 | LULAYUGMBFYYEX-UHFFFAOYSA-N |
