3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid
3-(azepan-1-ylsulfonyl)-4-chlorobenzoic acid
Also Known As: 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid|3-(azepan-1-ylsulfonyl)-4-chlorobenzoic acid|Oprea1_659808|3-(azepane-1-sulfonyl)-4-chlorobenzoic acid|3-(azepan-1-ylsulfonyl)-4-chlorobenzoicacid|4-Chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid|3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid
CAS: 328032-91-3
| Molecular Formula | C13H16ClNO4S |
|---|---|
| Molecular Weight | 317.04886 g/mol |
| LogP | 2.6029 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.04886 |
| Monoisotopic Mass | 317.04886 |
| Heavy Atoms | 20 |
| Complexity | 606.79724 |
Chemical Identifiers
| CAS Number | 328032-91-3 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid (CAS 328032-91-3), with molecular formula C13H16ClNO4S and molecular weight 317.04886 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-4-chlorobenzoic 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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