39J
Summary
| Name: | (2S)-2-chlorobutanoic acid |
| Formula: | C4 H7 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 122.55 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-chlorobutanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-chloranylbutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClC(C(=O)O)CC |
| InChI | InChI | 1.03 | InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | RVBUZBPJAGZHSQ-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](Cl)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](Cl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC[C@@H](C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(C(=O)O)Cl |
