AC1O0I0B
[2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
Also Known As: [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate|[2-[2-cyano-2-[(2-hydroxy-4-nitro-phenyl)carbamoyl]ethenyl]phenyl] 4-chlorobenzoate|2-{2-cyano-2-[(2-hydroxy-4-nitrophenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-chlorobenzoate
CAS: 522656-03-7
| Molecular Formula | C23H14ClN3O6 |
|---|---|
| Molecular Weight | 463.0571 g/mol |
| LogP | 4.71868 |
| Topological Polar Surface Area | 142.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.0571 |
| Monoisotopic Mass | 463.0571 |
| Heavy Atoms | 33 |
| Complexity | 1312.5172 |
Chemical Identifiers
| CAS Number | 522656-03-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AC1O0I0B (CAS 522656-03-7), with molecular formula C23H14ClN3O6 and molecular weight 463.0571 g/mol. IUPAC: [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate.
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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