Dichloroacetic acid, 4-nitrophenyl ester
(4-nitrophenyl) 2,2-dichloroacetate
Also Known As: 4-nitrophenyl dichloroacetate|p-nitrophenyl dichloroacetate|Dichloroacetic acid, 4-nitrophenyl ester|(4-nitrophenyl) 2,2-dichloroacetate|Dichloroacetic acid 4-nitrophenyl ester|4-NITROPHENYL 2,2-DICHLOROACETATE|Acetic acid, dichloro-, 4-nitrophenyl ester
CAS: 780-32-5
| Molecular Formula | C8H5Cl2NO4 |
|---|---|
| Molecular Weight | 248.95956 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.95956 |
| Monoisotopic Mass | 248.95956 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 780-32-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(Cl)Cl |
| InChIKey | PXRGBMOGEXCISN-UHFFFAOYSA-N |
Product Overview
Dichloroacetic acid, 4-nitrophenyl ester (CAS 780-32-5), with molecular formula C8H5Cl2NO4 and molecular weight 248.95956 g/mol. IUPAC: (4-nitrophenyl) 2,2-dichloroacetate.
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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