HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2,4-Dichloropyrimidin-5-yl)acetic acid
5-PyriMidineacetic acid, 2,4-dichloro- · (2,4-dichloro-5-pyrimidinyl)acetic Acid · (2,4-Dichloro-pyrimidin-5-yl)-acetic acid · 2-(2,4-dichloropyriMidin-5-yl)acetic acid
Identifiers & Physical Properties
| CAS No. | 933685-95-1 |
|---|---|
| Molecular formula | C6H4Cl2N2O2 |
| Average molar mass | 207.01 g/mol |
| SMILES | O=C(O)Cc1cnc(Cl)nc1Cl |
| InChIKey | KZWODZCUDKZFSX-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 63.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 179 |
| Boiling point | 378.1±27.0 °C(Predicted) |
| Density | 1.627±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 3.41±0.10(Predicted) |