AC1LY5RD
5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
Also Known As: 5-bromo-2-[5-[2-cyano-2-(methylcarbamoyl)ethenyl]-2-furyl]benzoic Acid|(Z)-5-bromo-2-(5-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)furan-2-yl)benzoic acid|5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid|5-bromo-2-{5-[(1Z)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
CAS: 799781-33-2
| Molecular Formula | C16H11BrN2O4 |
|---|---|
| Molecular Weight | 373.99023 g/mol |
| LogP | 3.06028 |
| Topological Polar Surface Area | 103.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.99023 |
| Monoisotopic Mass | 373.99023 |
| Heavy Atoms | 23 |
| Complexity | 846.0054 |
Chemical Identifiers
| CAS Number | 799781-33-2 |
|---|---|
| SMILES | CNC(=O)/C(=C\C1=CC=C(O1)C2=C(C=C(C=C2)Br)C(=O)O)/C#N |
Product Overview
AC1LY5RD (CAS 799781-33-2), with molecular formula C16H11BrN2O4 and molecular weight 373.99023 g/mol. IUPAC: 5-bromo-2-[5-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid.
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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