263
Summary
| Name: | 1-(azidomethyl)-3-methylbenzene |
| Formula: | C8 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 147.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(azidomethyl)-3-methylbenzene |
| OpenEye OEToolkits | 1.5.0 | 1-(azidomethyl)-3-methyl-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | 3-methylbenzyl azide |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(CN=[N+]=[N-])c1 |
| SMILES | CACTVS | 3.341 | Cc1cccc(CN=[N+]=[N-])c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)CN=[N+]=[N-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)CN=[N+]=[N-] |
| InChI | InChI | 1.03 | InChI=1S/C8H9N3/c1-7-3-2-4-8(5-7)6-10-11-9/h2-5H,6H2,1H3 |
| InChIKey | InChI | 1.03 | FCVHHYNXTVRWJE-UHFFFAOYSA-N |
