AC1OIKZ1
(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-chloro-5-nitrobenzoate
Also Known As: F2527-0076|SR-01000021160-1|[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 2-chloro-5-nitrobenzoate|(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-chloro-5-nitrobenzoate|(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-chloro-5-nitrobenzoate|[6-methyl-3-(methylthio)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 2-chloro-5-nitrobenzoate
| Molecular Formula | C13H11ClN4O5S |
|---|---|
| Molecular Weight | 370.01385 g/mol |
| LogP | 2.04472 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.01385 |
| Monoisotopic Mass | 370.01385 |
| Heavy Atoms | 24 |
| Complexity | 869.92596 |
Chemical Identifiers
| CAS Number | 877643-19-1 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)SC |
Product Overview
AC1OIKZ1 (CAS 877643-19-1), with molecular formula C13H11ClN4O5S and molecular weight 370.01385 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 2-chloro-5-nitrobenzoate.
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