B2P
Summary
| Name: | 2-bromo-2-methylpropanoic acid |
| Formula: | C4 H7 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 167.001 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-bromo-2-methylpropanoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-bromanyl-2-methyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | BrC(C(=O)O)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7) |
| InChIKey | InChI | 1.03 | XXSPGBOGLXKMDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Br)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(Br)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C(=O)O)Br |
