Bis(2-nitrobutyl) benzene-1,2-dicarboxylate
bis(2-nitrobutyl) benzene-1,2-dicarboxylate
Also Known As: bis(2-nitrobutyl) benzene-1,2-dicarboxylate|1,2-Benzenedicarboxylicacid,1,2-bis(2-nitrobutyl) ester|1,2-Benzenedicarboxylicacid, 1,2-bis(2-nitrobutyl) ester
CAS: 41776-15-2
| Molecular Formula | C16H20N2O8 |
|---|---|
| Molecular Weight | 368.12198 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.12198 |
| Monoisotopic Mass | 368.12198 |
| Heavy Atoms | 26 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 41776-15-2 |
|---|---|
| SMILES | CCC(COC(=O)C1=CC=CC=C1C(=O)OCC(CC)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SETMKNVSYWZWJW-UHFFFAOYSA-N |
Product Overview
Bis(2-nitrobutyl) benzene-1,2-dicarboxylate (CAS 41776-15-2), with molecular formula C16H20N2O8 and molecular weight 368.12198 g/mol. IUPAC: bis(2-nitrobutyl) benzene-1,2-dicarboxylate.
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.
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