Basic information
- CAS
4268-84-2- Standard SMILES
CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1- InChIKey
NKVKJONJQDUKFK-UHFFFAOYSA-N- Molecular formula
- C15H16NO5PS
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 353.04868078
Names & identifiers
- Preferred name
- O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate
- IUPAC
- ethoxy-(4-methoxyphenyl)-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Names & synonyms
4268-84-2NSC508667DTXSID60331327O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioateNSC-508667
Database identifiers
- CAS
4268-84-2- PubChem CID
- 437293
- DTXSID
DTXSID60331327
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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