Phosphonic acid, pentyl-, ethyl p-nitrophenyl ester
Basic information
- CAS
3015-75-6- Standard SMILES
CCCCCP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1- InChIKey
WVEDKNWZBPHSRJ-UHFFFAOYSA-N- Molecular formula
- C13H20NO5P
- Average molar mass
- 301.27 g/mol
- Monoisotopic mass
- 301.10790974
Names & identifiers
- Preferred name
- Phosphonic acid, pentyl-, ethyl p-nitrophenyl ester
- IUPAC
- 1-[ethoxy(pentyl)phosphoryl]oxy-4-nitrobenzene
- English name
- Pentylphosphonic acid p-nitrophenylethyl ester
- Molecular formula
- C13H20NO5P
- Molecular weight
- 301.28
Names & synonyms
3015-75-6Phosphonic acid, pentyl-, ethyl p-nitrophenyl esterRefChem:1095190p-Nitrophenyl ethyl pentylphosphonateEthyl p-nitrophenyl pentylphosphonateBRN 3413728ETHYL 4-NITROPHENYL PENTYLPHOSPHONATEPentylphosphonic acid p-nitrophenylethyl ester4-06-00-01322 (Beilstein Handbook Reference)DTXSID40952559Phosphonic acid, pentyl-, ethyl 4-nitrophenyl ester (9CI)
Database identifiers
- CAS
3015-75-6- PubChem CID
- 76391
- DTXSID
DTXSID40952559- Nikkaji
- J50.304E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 408.1 · 408.1±37.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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