A1BUU
Summary
| Name: | methyl 2-(4-fluorobenzoyl)benzoate |
| Formula: | C15 H11 F O3 |
| Formal charge: | 0 |
| Formula weight: | 258.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | methyl 2-(4-fluorobenzoyl)benzoate |
| OpenEye OEToolkits | 3.1.0.0 | methyl 2-(4-fluorophenyl)carbonylbenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(c1ccc(F)cc1)c1ccccc1C(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C15H11FO3/c1-19-15(18)13-5-3-2-4-12(13)14(17)10-6-8-11(16)9-7-10/h2-9H,1H3 |
| InChIKey | InChI | 1.06 | XVIFFHRWAZWIKN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccccc1C(=O)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccccc1C(=O)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COC(=O)c1ccccc1C(=O)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(=O)c1ccccc1C(=O)c2ccc(cc2)F |
