C13H12ClN3O4
5-[[4-(2-chloroacetyl)pyrrol-2-ylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Also Known As: KS-00001W5Y|5-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione|5-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione|5-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CAS: 865660-45-3
| Molecular Formula | C13H12ClN3O4 |
|---|---|
| Molecular Weight | 309.05164 g/mol |
| LogP | -0.0508 |
| Topological Polar Surface Area | 93.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.05164 |
| Monoisotopic Mass | 309.05164 |
| Heavy Atoms | 21 |
| Complexity | 827.04376 |
Chemical Identifiers
| CAS Number | 865660-45-3 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=C2C=C(C=N2)C(=O)CCl)O |
Product Overview
C13H12ClN3O4 (CAS 865660-45-3), with molecular formula C13H12ClN3O4 and molecular weight 309.05164 g/mol. IUPAC: 5-[[4-(2-chloroacetyl)pyrrol-2-ylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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