AC1NTJXG
methyl (2E)-2-(8-chloro-7-methoxy-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate
Also Known As: 5-25-09-00109 (Beilstein Handbook Reference)|methyl (2E)-2-(8-chloro-7-methoxy-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate|Acetic acid, (8-chloro-3,5-dioxo-7-methoxy-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-ylidene)-, methyl ester
CAS: 35514-34-2
| Molecular Formula | C13H11ClN2O5 |
|---|---|
| Molecular Weight | 310.03564 g/mol |
| LogP | 1.0874 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.03564 |
| Monoisotopic Mass | 310.03564 |
| Heavy Atoms | 21 |
| Complexity | 668.7706 |
Chemical Identifiers
| CAS Number | 35514-34-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)NC(=O)/C(=C\C(=O)OC)/N2)Cl |
Product Overview
AC1NTJXG (CAS 35514-34-2), with molecular formula C13H11ClN2O5 and molecular weight 310.03564 g/mol. IUPAC: methyl (2E)-2-(8-chloro-7-methoxy-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate.
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.
View MSDS →
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