NKW
Summary
| Name: | 6-bromanyl-1~{H}-benzotriazole |
| Formula: | C6 H4 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 198.02 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-1~{H}-benzotriazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H4BrN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10) |
| InChIKey | InChI | 1.03 | BQCIJWPKDPZNHD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc2nn[nH]c2c1 |
| SMILES | CACTVS | 3.385 | Brc1ccc2nn[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)[nH]nn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)[nH]nn2 |
