J4K
Summary
| Name: | 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole |
| Formula: | C8 H7 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 210.62 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClN4O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13) |
| InChIKey | InChI | 1.03 | LAEFYQOLGWVFTE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(OCc2[nH]nnn2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(OCc2[nH]nnn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1OCc2[nH]nnn2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1OCc2[nH]nnn2)Cl |
