495
Summary
| Name: | 4-chlorophthalazin-1(2H)-one |
| Formula: | C8 H5 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 180.591 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chlorophthalazin-1(2H)-one |
| OpenEye OEToolkits | 1.7.6 | 4-chloranyl-2H-phthalazin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(cccc1)C(Cl)=NN2 |
| InChI | InChI | 1.03 | InChI=1S/C8H5ClN2O/c9-7-5-3-1-2-4-6(5)8(12)11-10-7/h1-4H,(H,11,12) |
| InChIKey | InChI | 1.03 | QCKGMJDOJRNSMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | ClC1=NNC(=O)c2ccccc12 |
| SMILES | CACTVS | 3.370 | ClC1=NNC(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NN=C2Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NN=C2Cl |
