CBMicro_029236
4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid
Also Known As: CBMicro_029236|Oprea1_336243|BIM-0029415.P001|4-methyl-3-(5-(3-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)benzoic acid|4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxobenzo[c]azolin-2-yl]benzoic acid|4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid|4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
CAS: 420102-17-6
| Molecular Formula | C22H14N2O7 |
|---|---|
| Molecular Weight | 418.0801 g/mol |
| LogP | 4.19432 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0801 |
| Monoisotopic Mass | 418.0801 |
| Heavy Atoms | 31 |
| Complexity | 1282.6011 |
Chemical Identifiers
| CAS Number | 420102-17-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-] |
Product Overview
CBMicro_029236 (CAS 420102-17-6), with molecular formula C22H14N2O7 and molecular weight 418.0801 g/mol. IUPAC: 4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-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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