Basic information
- CAS
13538-10-8- Standard SMILES
CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)C(C)C- InChIKey
LRKIJHNJIXGRCI-UHFFFAOYSA-N- Molecular formula
- C11H16NO5P
- Average molar mass
- 273.22 g/mol
- Monoisotopic mass
- 273.07660961
Names & identifiers
- Preferred name
- Phosphonic acid, isopropyl-, ethyl p-nitrophenyl ester
- IUPAC
- 1-[ethoxy(propan-2-yl)phosphoryl]oxy-4-nitrobenzene
- English name
- Isopropylphosphonic acid ethyl p-nitrophenyl ester
- Molecular formula
- C11H16NO5P
- Molecular weight
- 273.22
Names & synonyms
13538-10-8Phosphonic acid, isopropyl-, ethyl p-nitrophenyl esterRefChem:1095180Ethyl p-nitrophenyl isopropylphosphonateIsopropylphosphonic acid ethyl p-nitrophenyl esterBRN 21476971-[ethoxy(propan-2-yl)phosphoryl]oxy-4-nitrobenzeneethyl 4-nitrophenyl propan-2-ylphosphonateDTXSID20928979Phosphonic acid, (1-methylethyl)-, ethyl 4-nitrophenyl ester (9CI)
Database identifiers
- CAS
13538-10-8- PubChem CID
- 83565
- DTXSID
DTXSID20928979- Nikkaji
- J50.292H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 375.9 · 375.9±34.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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