DIC
Summary
| Name: | 3,4-DICHLOROISOCOUMARIN |
| Formula: | C9 H4 Cl2 O2 |
| Formal charge: | 0 |
| Formula weight: | 215.033 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,4-dichloro-1H-isochromen-1-one |
| OpenEye OEToolkits | 1.5.0 | 3,4-dichloroisochromen-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC=1OC(=O)c2ccccc2C=1Cl |
| SMILES_CANONICAL | CACTVS | 3.341 | ClC1=C(Cl)c2ccccc2C(=O)O1 |
| SMILES | CACTVS | 3.341 | ClC1=C(Cl)c2ccccc2C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=C(OC2=O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=C(OC2=O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H |
| InChIKey | InChI | 1.03 | SUGXUUGGLDCZKB-UHFFFAOYSA-N |
