BYZ
Summary
| Name: | 4-bromo-1H-pyrazole |
| Formula: | C3 H3 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 146.973 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromo-1H-pyrazole |
| OpenEye OEToolkits | 1.7.6 | 4-bromanyl-1H-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cnnc1 |
| InChI | InChI | 1.03 | InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6) |
| InChIKey | InChI | 1.03 | WVGCPEDBFHEHEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1c[nH]nc1 |
| SMILES | CACTVS | 3.370 | Brc1c[nH]nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cn[nH]1)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cn[nH]1)Br |
