A1L36
Summary
| Name: | bromoxynil |
| Synonyms: | 3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile |
| Formula: | C7 H3 Br2 N O |
| Formal charge: | 0 |
| Formula weight: | 276.913 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H |
| InChIKey | InChI | 1.06 | UPMXNNIRAGDFEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(Br)cc(cc1Br)C#N |
| SMILES | CACTVS | 3.385 | Oc1c(Br)cc(cc1Br)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Br)O)Br)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Br)O)Br)C#N |
