WIH
Summary
| Name: | 5-(4-methoxyphenyl)-1H-tetrazole |
| Formula: | C8 H8 N4 O |
| Formal charge: | 0 |
| Formula weight: | 176.175 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(4-methoxyphenyl)-1H-tetrazole |
| OpenEye OEToolkits | 2.0.7 | 5-(4-methoxyphenyl)-1~{H}-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1)c1nnn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) |
| InChIKey | InChI | 1.06 | KZGGHPBTKGLWQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2[nH]nnn2 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)c2[nH]nnn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)c2[nH]nnn2 |
