Basic information
- CAS
546-71-4- Standard SMILES
CCOP(=O)(CC)Oc1ccc([N+](=O)[O-])cc1- InChIKey
XXUJMEYKYHETBZ-UHFFFAOYSA-N- Molecular formula
- C10H14NO5P
- Average molar mass
- 259.2 g/mol
- Monoisotopic mass
- 259.06095954
Overview
Ethyl 4-nitrophenyl ethylphosphonate is an organic phosphonate and a phosphonic ester.
Names & identifiers
- Preferred name
- Ethyl 4-nitrophenyl P-ethylphosphonate
- IUPAC
- 1-[ethoxy(ethyl)phosphoryl]oxy-4-nitrobenzene
- English name
- Armin
- Molecular formula
- C10H14NO5P
- Molecular weight
- 259.2
Names & synonyms
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:1084956
Show more names
C13048Phosphonic acid, P-ethyl-, ethyl 4-nitrophenyl ester
ArminArminumArmin (ester)Ethyl p-nitrophenyl ethylphosphonateNCGC00183017-01Ethyl 4-nitrophenyl ethylphosphonate (JAN)ETHYL 4-NITROPHENYL ETHYLPHOSPHONATE [JAN]Ethyl-4-nitrophenyl ethylphosphonate
Database identifiers
- CAS
546-71-4- PubChem CID
- 66067
- DTXSID
DTXSID5048843- ChEMBL
CHEMBL2106820- ChEBI
CHEBI:32353- UNII
- H39MRI1X2O
- Nikkaji
- J6.430K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- FDA UNII
- 39 MRI1X2O · H39MRI1X2O
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Ethyl 4-nitrophenyl ethylphosphonate is a phosphonic ester and an organic phosphonate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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