Compound C16H16N2O6S
3-nitro-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid
CAS: 72020-12-3
| Molecular Formula | C16H16N2O6S |
|---|---|
| Molecular Weight | 364.4 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 152.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.0729 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 72020-12-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-] |
| InChIKey | QKZSJYYNXWOCAO-UHFFFAOYSA-N |
📖 Product Overview
Compound C16H16N2O6S (CAS: 72020-12-3) is a chemical compound with molecular formula C16H16N2O6S and molecular weight 364.4 g/mol. Its IUPAC systematic name is 3-nitro-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid.
QKZSJYYNXWOCAO-UHFFFAOYSA-N.
SMILES: C1=CC=C(C=C1)CCCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-].
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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