JMV
Summary
| Name: | (3-chlorophenoxy)acetic acid |
| Formula: | C8 H7 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 186.592 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-chlorophenoxy)acetic acid |
| OpenEye OEToolkits | 2.0.6 | 2-(3-chloranylphenoxy)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(OCC(O)=O)ccc1)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | InChI | 1.03 | XSBUXVWJQVTYLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COc1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)COc1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)OCC(=O)O |
