HRI
Summary
| Name: | ALPHA-CHLOROISOCAPROIC ACID |
| Formula: | C6 H11 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 150.603 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-chloro-4-methylpentanoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-chloro-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC(C(=O)O)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@@H](Cl)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](Cl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)O)Cl |
| 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-/m1/s1 |
| InChIKey | InChI | 1.03 | CBQBIPRPIHIKPW-RXMQYKEDSA-N |
