CNR
Summary
| Name: | (2S)-2-CHLOROPROPANOIC ACID |
| Synonyms: | 2-MONOCHLOROPRAPANATE |
| Formula: | C3 H5 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 108.524 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-chloropropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-chloropropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC(C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](Cl)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](Cl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | GAWAYYRQGQZKCR-REOHCLBHSA-N |
