BRC
Summary
| Name: | 12-BROMODODECANOIC ACID |
| Formula: | C12 H23 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 279.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 12-bromododecanoic acid |
| OpenEye OEToolkits | 1.5.0 | 12-bromododecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | BrCCCCCCCCCCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCCCCCCCCCBr |
| SMILES | CACTVS | 3.341 | OC(=O)CCCCCCCCCCCBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCCCCC(=O)O)CCCCCBr |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCCCCC(=O)O)CCCCCBr |
| InChI | InChI | 1.03 | InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15) |
| InChIKey | InChI | 1.03 | YYKBWYBUCFHYPR-UHFFFAOYSA-N |
