Molecular Identity
Ethyl 4-nitrophenyl P-ethylphosphonate
1-[ethoxy(ethyl)phosphoryl]oxy-4-nitrobenzene
PubChem CID: 66067
Ethyl 4-nitrophenyl ethylphosphonate is an organic phosphonate and a phosphonic ester.
2D Structure
Properties
C10H14NO5P
Molecular Formula
259.20
Molecular Weight
g/mol
259.0610
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
81.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
296
Complexity
SMILES
Canonical SMILES
SMILES: CCOP(=O)(CC)OC1=CC=C(C=C1)[N+](=O)[O-]Isomeric SMILES
SMILES: CCOP(=O)(CC)OC1=CC=C(C=C1)[N+](=O)[O-]Synonyms(20)
ArmineEthyl 4-nitrophenyl ethylphosphonatep-Nitrophenyl-O-ethyl ethylphosphonate546-71-4ArmeenDTXSID50488431-[ethoxy(ethyl)phosphoryl]oxy-4-nitrobenzeneH39MRI1X2OEthyl 4-Nitrophenyl P-ethylphosphonateDTXCID80287691-(ethoxy(ethyl)phosphoryl)oxy-4-nitrobenzeneRefChem:1084956ArminArminumArmin (ester)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ethyl 4-nitrophenyl P-ethylphosphonate
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