3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid
3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic acid
Also Known As: 3-{4-(acetylamino)-3-nitrophenyl}-3-methylbutanoic acid|3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic acid|AE-562/43460618|3-(4-acetamido-3-nitro-phenyl)-3-methyl-butanoic acid
CAS: 33214-73-2
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.10593 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.10593 |
| Monoisotopic Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 33214-73-2 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(C)(C)CC(=O)O)[N+](=O)[O-] |
| InChIKey | NQZPOLRJLCSBSF-UHFFFAOYSA-N |
Product Overview
3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid (CAS 33214-73-2), with molecular formula C13H16N2O5 and molecular weight 280.10593 g/mol. IUPAC: 3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic 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 →
3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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