R7J
Summary
| Name: | [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid |
| Formula: | C16 H11 F O3 |
| Formal charge: | 0 |
| Formula weight: | 270.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[5-(3-fluorophenyl)-1-benzofuran-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc1c(c(CC(O)=O)co1)cc2c3cccc(c3)F |
| InChI | InChI | 1.03 | InChI=1S/C16H11FO3/c17-13-3-1-2-10(6-13)11-4-5-15-14(7-11)12(9-20-15)8-16(18)19/h1-7,9H,8H2,(H,18,19) |
| InChIKey | InChI | 1.03 | ZIFXDKDCUJZEBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1coc2ccc(cc12)c3cccc(F)c3 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1coc2ccc(cc12)c3cccc(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O |
