Compound C9H6ClNO3S
2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
CAS: 3813-05-6
| Molecular Formula | C9H6ClNO3S |
|---|---|
| Molecular Weight | 243.67 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.9757 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 3813-05-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O |
| InChIKey | HYJSGOXICXYZGS-UHFFFAOYSA-N |
📖 Product Overview
Compound C9H6ClNO3S (CAS: 3813-05-6) is a chemical compound with molecular formula C9H6ClNO3S and molecular weight 243.67 g/mol. Its IUPAC systematic name is 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid.
HYJSGOXICXYZGS-UHFFFAOYSA-N.
SMILES: C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=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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