p-Nitrophenyl hexadecyl ether
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Basic information
- CAS
102703-33-3- Standard SMILES
CCCCCCCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1- InChIKey
HOBVESXNPYPANG-UHFFFAOYSA-N- Molecular formula
- C22H37NO3
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.27734404
Names & identifiers
- Preferred name
- p-Nitrophenyl hexadecyl ether
- IUPAC
- 1-hexadecoxy-4-nitrobenzene
- English name
- P-HEXADECYLOXYNITROBENZENE
- Molecular formula
- C22H37NO3
- Molecular weight
- 363.53
Names & synonyms
p-Nitrophenyl hexadecyl ether102703-33-3DTXSID40333723RefChem:367716DTXCID50284813HOBVESXNPYPANG-UHFFFAOYSA-Np-HEXADECYLOXYNITROBENZENE1-hexadecoxy-4-nitrobenzene1-(Hexadecyloxy)-4-nitrobenzeneMFCD000246801-hexadecyloxy-4-nitrobenzenehexadecanoxy-4-nitrobenzene
Show more names
TIMTEC-BB SBB0082274-Nitrophenyl hexadecyl etherBenzene, 1-(hexadecyloxy)-4-nitro-
1-hexadecoxy-4-nitro-benzeneSCHEMBL84103181-(Hexadecyloxy)-4-nitrobenzene #HEXADECYL 4-NITROPHENYL ETHERSBB008227AKOS015839855AKOS015916574ST50409486
Database identifiers
- CAS
102703-33-3- PubChem CID
- 517801
- DTXSID
DTXSID40333723
Properties
Computed structural propertiesFilling in
- XLogP
- 9.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 54 · 54-56 °C
- Boiling point
- 474.2 · 474.2±18.0 °C(Predicted)
- Density
- 0.974 · 0.974±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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