Basic information
- CAS
3015-78-9- Standard SMILES
CCCCCCCCP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1- InChIKey
MPURXCAUNNEKMR-UHFFFAOYSA-N- Molecular formula
- C16H26NO5P
- Average molar mass
- 343.35 g/mol
- Monoisotopic mass
- 343.15485993
Names & identifiers
- Preferred name
- Ethyl 4-nitrophenyl octylphosphonate
- IUPAC
- 1-[ethoxy(octyl)phosphoryl]oxy-4-nitrobenzene
- English name
- Octylphosphonic acid ethyl p-nitrophenyl ester
- Molecular formula
- C16H26NO5P
- Molecular weight
- 343.36
Names & synonyms
3015-78-9ethyl 4-nitrophenyl octylphosphonateDTXSID10952561RefChem:1084955DTXCID701380646p-Nitrophenyl ethyl octylphosphonatePhosphonic acid, octyl-, ethyl p-nitrophenyl esterOctylphosphonic acid ethyl p-nitrophenyl esterPhosphonic acid, octyl-, ethyl 4-nitrophenyl ester (9CI)
Database identifiers
- CAS
3015-78-9- PubChem CID
- 76393
- DTXSID
DTXSID10952561- Nikkaji
- J50.303G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 446.7 · 446.7±37.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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