AC1LXK0F
(E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid
Also Known As: NCGC00339271-01|AB01331774-02|(E)-3-(4-chlorophenyl)-2-((4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid|3-(4-chlorophenyl)-2-[(4-oxo-5,6-dihydro-3H-pyrimidin-2-yl)sulfanyl]prop-2-enoic Acid|(2E)-3-(4-chlorophenyl)-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid|(E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid
| Molecular Formula | C13H11ClN2O3S |
|---|---|
| Molecular Weight | 310.01788 g/mol |
| LogP | 2.3746 |
| Topological Polar Surface Area | 78.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.01788 |
| Monoisotopic Mass | 310.01788 |
| Heavy Atoms | 20 |
| Complexity | 596.13873 |
Chemical Identifiers
| CAS Number | 896593-67-2 |
|---|---|
| SMILES | C1CN=C(NC1=O)S/C(=C/C2=CC=C(C=C2)Cl)/C(=O)O |
Product Overview
AC1LXK0F (CAS 896593-67-2), with molecular formula C13H11ClN2O3S and molecular weight 310.01788 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid.
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