O-Ethyl O-(4-nitrophenyl) propan-2-ylphosphonothioate
Basic information
- CAS
20978-45-4- Standard SMILES
CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)C(C)C- InChIKey
XPFMMGJWSBHHOD-UHFFFAOYSA-N- Molecular formula
- C11H16NO4PS
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.05376616
Names & identifiers
- Preferred name
- O-Ethyl O-(4-nitrophenyl) propan-2-ylphosphonothioate
- IUPAC
- ethoxy-(4-nitrophenoxy)-propan-2-yl-sulfanylidene-λ5-phosphane
- English name
- ethoxy-(4-nitrophenoxy)-propan-2-yl-sulfanylidene-phosphorane
- Molecular formula
- C11H16NO4PS
- Molecular weight
- 0
Names & synonyms
20978-45-4DTXSID10943272O-Ethyl O-(4-nitrophenyl) propan-2-ylphosphonothioateRefChem:1093659DTXCID401371644BRN 2147699O-Ethyl O-(p-nitrophenyl) isopropylphosphonothioatePhosphonothioic acid, isopropyl-, O-ethyl O-(p-nitrophenyl) esterETHOXY-(4-NITROPHENOXY)-PROPAN-2-YL-SULFANYLIDENE-PHOSPHORANEIsopropylphosphonothioic acid O-ethyl O-(p-nitrophenyl) ester
Database identifiers
- CAS
20978-45-4- PubChem CID
- 88741
- DTXSID
DTXSID10943272- Nikkaji
- J50.343F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…