IU9
Summary
Name: | N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide |
Formula: | C13 H9 Cl F N O Se |
Formal charge: | 0 |
Formula weight: | 328.628 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C13H9ClFNOSe/c14-10-7-8(15)5-6-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17) |
InChIKey | InChI | 1.06 | FAXAPSRLOFVXJE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1 |
SMILES | CACTVS | 3.385 | Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)F)[SeH] |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)F)[SeH] |