A1A0I
Summary
| Name: | 5-(2-iodophenyl)-2H-tetrazole |
| Formula: | C7 H5 I N4 |
| Formal charge: | 0 |
| Formula weight: | 272.046 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2-iodophenyl)-2H-tetrazole |
| OpenEye OEToolkits | 2.0.7 | 5-(2-iodanylphenyl)-2~{H}-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic1ccccc1c1n[NH]nn1 |
| InChI | InChI | 1.06 | InChI=1S/C7H5IN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12) |
| InChIKey | InChI | 1.06 | BISBCDUUTDMGBR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Ic1ccccc1c2n[nH]nn2 |
| SMILES | CACTVS | 3.385 | Ic1ccccc1c2n[nH]nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2n[nH]nn2)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2n[nH]nn2)I |
