AY4
Summary
| Name: | 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol |
| Formula: | C9 H6 F2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 196.154 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-difluoro-6-(1H-pyrazol-3-yl)phenol |
| OpenEye OEToolkits | 1.7.6 | 2,4-bis(fluoranyl)-6-(1H-pyrazol-3-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2ccc(c1cc(F)cc(c1O)F)n2 |
| InChI | InChI | 1.03 | InChI=1S/C9H6F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h1-4,14H,(H,12,13) |
| InChIKey | InChI | 1.03 | JUXBDWQXPZSIML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(F)cc(F)cc1c2cc[nH]n2 |
| SMILES | CACTVS | 3.385 | Oc1c(F)cc(F)cc1c2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c[nH]nc1c2cc(cc(c2O)F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c[nH]nc1c2cc(cc(c2O)F)F |
