A1AXW
Summary
| Name: | 4-(4-fluorophenyl)-1H-pyrazole |
| Formula: | C9 H7 F N2 |
| Formal charge: | 0 |
| Formula weight: | 162.164 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-fluorophenyl)-1H-pyrazole |
| OpenEye OEToolkits | 2.0.7 | 4-(4-fluorophenyl)-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)c1c[NH]nc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H7FN2/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H,(H,11,12) |
| InChIKey | InChI | 1.06 | ODQIVMKWVSKSKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2c[nH]nc2 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2c[nH]nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c[nH]nc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c[nH]nc2)F |
