Carboxyfenitrothion
5-dimethoxyphosphinothioyloxy-2-nitrobenzoic acid
CAS: 54812-31-6
| Molecular Formula | C9H10NO7PS |
|---|---|
| Molecular Weight | 307.22 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 143.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.99155 |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 54812-31-6 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | VQQKSYZYVZFNSY-UHFFFAOYSA-N |
📖 Product Overview
Carboxyfenitrothion (CAS: 54812-31-6) is a chemical compound with molecular formula C9H10NO7PS and molecular weight 307.22 g/mol. Its IUPAC systematic name is 5-dimethoxyphosphinothioyloxy-2-nitrobenzoic acid.
VQQKSYZYVZFNSY-UHFFFAOYSA-N.
SMILES: COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])C(=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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Frequently Asked Questions
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📚 Academic Support
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