03H
Summary
| Name: | (2S)-2-chloro-4-methylpentanoic acid |
| Synonyms: | (S)-alpha-chloroisocaproate |
| Formula: | C6 H11 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 150.603 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-chloro-4-methylpentanoic acid |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-chloranyl-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClC(C(=O)O)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | CBQBIPRPIHIKPW-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](Cl)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](Cl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)C[C@@H](C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)CC(C(=O)O)Cl |
