52C
Summary
| Name: | 5-(2-CHLOROPHENYL)-1H-TETRAZOLE |
| Formula: | C7 H5 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 180.594 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2-chlorophenyl)-1H-tetrazole |
| OpenEye OEToolkits | 1.9.2 | 5-(2-chlorophenyl)-1H-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccccc1c2nnnn2 |
| InChI | InChI | 1.03 | InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12) |
| InChIKey | InChI | 1.03 | PSUIIKIEUATWCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1c2[nH]nnn2 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)c2[nH]nnn2)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)c2[nH]nnn2)Cl |
