FC3
概要
| 表記: | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID |
| 組成式: | C12 H7 F3 O3 |
| 電荷: | 0 |
| 化学式量: | 256.177 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 5-[2-(trifluoromethyl)phenyl]furan-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5-[2-(trifluoromethyl)phenyl]furan-2-carboxylic acid |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)c2oc(c1c(cccc1)C(F)(F)F)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1oc(cc1)c2ccccc2C(F)(F)F |
| SMILES | CACTVS | 3.341 | OC(=O)c1oc(cc1)c2ccccc2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C12H7F3O3/c13-12(14,15)8-4-2-1-3-7(8)9-5-6-10(18-9)11(16)17/h1-6H,(H,16,17) |
| InChIKey | InChI | 1.03 | IJPNRBZMRINMMR-UHFFFAOYSA-N |
