L4I
Summary
| Name: | 4-(2-chloroethyl)benzoic acid |
| Formula: | C9 H9 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 184.62 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-chloroethyl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(2-chloroethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClCCc1ccc(cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9ClO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | InChI | 1.03 | OOAPBGPLZAFZSO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(CCCl)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(CCCl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCCl)C(=O)O |
