6SM
Summary
| Name: | 5-chloranylpyrimidine-4-carboxylic acid |
| Formula: | C5 H3 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 158.543 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 5-chloranylpyrimidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10) |
| InChIKey | InChI | 1.03 | AXGQUUGCTSWSMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ncncc1Cl |
| SMILES | CACTVS | 3.385 | OC(=O)c1ncncc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1c(c(ncn1)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1c(c(ncn1)C(=O)O)Cl |
