Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate
Basic information
- CAS
3015-82-5- Standard SMILES
CCOP(=O)(CCCCCCCl)Oc1ccc([N+](=O)[O-])cc1- InChIKey
YYHXAVHJLPMEBV-UHFFFAOYSA-N- Molecular formula
- C14H21ClNO5P
- Average molar mass
- 349.74 g/mol
- Monoisotopic mass
- 349.0845875
Names & identifiers
- Preferred name
- Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate
- IUPAC
- 1-[6-chlorohexyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
- English name
- (6-Chlorohexyl)phosphonic acid ethyl p-nitrophenyl ester
- Molecular formula
- C14H21ClNO5P
- Molecular weight
- 349.75
Names & synonyms
3015-82-5Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonateDTXSID70952562RefChem:1084953DTXCID401380647p-Nitrophenyl ethyl 6-chlorohexylphosphonatePhosphonic acid, 6-chlorohexyl-, ethyl p-nitrophenyl ester(6-Chlorohexyl)phosphonic acid ethyl p-nitrophenyl esterPhosphonic acid, (6-chlorohexyl)-, ethyl p-nitrophenyl ester (7CI,8CI)
Database identifiers
- CAS
3015-82-5- PubChem CID
- 200974
- DTXSID
DTXSID70952562- Nikkaji
- J50.278B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 463 · 463.0±45.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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