LM9
Summary
| Name: | (5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole |
| Formula: | C13 H8 Cl2 N4 O |
| Formal charge: | 0 |
| Formula weight: | 307.135 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole |
| OpenEye OEToolkits | 2.0.7 | 5-[2-[2,4-bis(chloranyl)phenoxy]phenyl]-2~{H}-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C13H8Cl2N4O/c14-8-5-6-12(10(15)7-8)20-11-4-2-1-3-9(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19) |
| InChIKey | InChI | 1.06 | NUYWOTGHOXXCLV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Oc2ccccc2c3n[nH]nn3)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(Oc2ccccc2c3n[nH]nn3)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2n[nH]nn2)Oc3ccc(cc3Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2n[nH]nn2)Oc3ccc(cc3Cl)Cl |
