SH6
Summary
| Name: | 8-bromooctanoic acid |
| Formula: | C8 H15 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 223.107 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-bromooctanoic acid |
| OpenEye OEToolkits | 1.9.2 | 8-bromanyloctanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCCBr |
| InChI | InChI | 1.03 | InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11) |
| InChIKey | InChI | 1.03 | BKJFDZSBZWHRNH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCCCBr |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCCCBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CCCC(=O)O)CCCBr |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CCCC(=O)O)CCCBr |
