1V3
Summary
| Name: | 6-chloro-2-phenyl-4H-chromen-4-one |
| Formula: | C15 H9 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 256.684 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloro-2-phenyl-4H-chromen-4-one |
| OpenEye OEToolkits | 1.7.6 | 6-chloranyl-2-phenyl-chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2ccc1OC(=CC(=O)c1c2)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H9ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H |
| InChIKey | InChI | 1.03 | IFNDLWHUYFSXBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc2OC(=CC(=O)c2c1)c3ccccc3 |
| SMILES | CACTVS | 3.370 | Clc1ccc2OC(=CC(=O)c2c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl |
