19C
Summary
| Name: | 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one |
| Formula: | C15 H11 Cl F N O3 |
| Formal charge: | 0 |
| Formula weight: | 307.704 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)-3H-isoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H10ClFNO3/c16-10-5-8(1-3-11(10)17)6-18-7-9-2-4-12(19)14(20)13(9)15(18)21/h1-5,7,19-20H,6H2 |
| InChIKey | InChI | 1.03 | RQCBFFCDRRWWOU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc2CN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O |
| SMILES | CACTVS | 3.370 | Oc1ccc2CN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F |
