4-Acetoxy-3,5-dichlorobenzoic acid
4-acetyloxy-3,5-dichlorobenzoic acid
Also Known As: Enamine_005171|Dotinurad Impurity 139|Dotinurad Impurity 215|4-acetoxy-3,5-dichlorobenzoic acid|4-acetyloxy-3,5-dichlorobenzoic acid|IDI1_007758|4-(ACETYLOXY)-3,5-DICHLOROBENZOIC ACID|4-ACETOXY-3,5-DICHLORO-BENZOIC ACID|F3099-6658
CAS: 76598-95-3
| Molecular Formula | C9H6Cl2O4 |
|---|---|
| Molecular Weight | 247.96431 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.96431 |
| Monoisotopic Mass | 247.96431 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 76598-95-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Cl)C(=O)O)Cl |
| InChIKey | IDBSPEMWRGCKSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Polymer Intermediates (7 patents)
Product Overview
4-Acetoxy-3,5-dichlorobenzoic acid (CAS 76598-95-3), with molecular formula C9H6Cl2O4 and molecular weight 247.96431 g/mol. IUPAC: 4-acetyloxy-3,5-dichlorobenzoic 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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