ChemDiv1_007012
2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
Also Known As: ChemDiv1_007012|HMS606O16|AB00105441-01|(4-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid|(E)-2-(4-((1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-ethoxyphenoxy)acetic acid|2-(4-{[(5E)-1-(4-BROMOPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}-2-ETHOXYPHENOXY)ACETIC ACID|2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
| Molecular Formula | C21H17BrN2O7 |
|---|---|
| Molecular Weight | 488.0219 g/mol |
| LogP | 2.9776 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.0219 |
| Monoisotopic Mass | 488.0219 |
| Heavy Atoms | 31 |
| Complexity | 1079.6359 |
Chemical Identifiers
| CAS Number | 425652-73-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCC(=O)O |
Product Overview
ChemDiv1_007012 (CAS 425652-73-9), with molecular formula C21H17BrN2O7 and molecular weight 488.0219 g/mol. IUPAC: 2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid.
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