FLF
概要
| 表記: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID |
| 別名: | FLUFENAMIC ACID |
| 組成式: | C14 H10 F3 N O2 |
| 電荷: | 0 |
| 化学式量: | 281.23 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 | 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[[3-(trifluoromethyl)phenyl]amino]benzoic 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 | FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) |
| InChIKey | InChI | 1.03 | LPEPZBJOKDYZAD-UHFFFAOYSA-N |
