A1CEI
Summary
| Name: | 5-(4-bromophenyl)-1H-tetrazole |
| Formula: | C7 H5 Br N4 |
| Formal charge: | 0 |
| Formula weight: | 225.045 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-(4-bromophenyl)-1H-tetrazole |
| OpenEye OEToolkits | 3.1.0.0 | 5-(4-bromophenyl)-1~{H}-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1ccc(cc1)c1nnn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12) |
| InChIKey | InChI | 1.06 | YMZMDMWMKVPGDP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)c2[nH]nnn2 |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1c2[nH]nnn2)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1c2[nH]nnn2)Br |
