BXR
Summary
| Name: | 2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethanamine |
| Formula: | C9 H10 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 223.662 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethanamine |
| OpenEye OEToolkits | 1.7.2 | 2-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(cc1)n2nnnc2)CCN |
| InChI | InChI | 1.03 | InChI=1S/C9H10ClN5/c10-8-1-2-9(7(5-8)3-4-11)15-6-12-13-14-15/h1-2,5-6H,3-4,11H2 |
| InChIKey | InChI | 1.03 | VMVXFDLIHIAWEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCc1cc(Cl)ccc1n2cnnn2 |
| SMILES | CACTVS | 3.370 | NCCc1cc(Cl)ccc1n2cnnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(c(cc1Cl)CCN)n2cnnn2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(c(cc1Cl)CCN)n2cnnn2 |
