2-(3-(Triphenylphosphoranyl)propoxy)benzaldehyde
Basic information
- CAS
17954-76-6- Standard SMILES
O=Cc1ccccc1OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
KDEGOEYTFUEZGW-UHFFFAOYSA-N- Molecular formula
- C28H26O2P+
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.16704207
Overview
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Names & identifiers
- Preferred name
- 2-(3-(Triphenylphosphoranyl)propoxy)benzaldehyde
- IUPAC
- 3-(2-formylphenoxy)propyl-triphenylphosphanium
- English name
- 3-(2-Formylphenoxy)propyl)triphenylphosphonium bromide
- Molecular formula
- C28H26O2P+
- Molecular weight
- 425.478601
Names & synonyms
17954-76-62-(3-(Triphenylphosphoranyl)propoxy)benzaldehydeNSC 840663-(2-formylphenoxy)propyl-triphenylphosphaniumNSC84066DTXSID901708273-(2-formylphenoxy)propyl-triphenyl-phosphonium[3-(2-Formylphenoxy)propyl]tri(phenyl)phosphanium3-(2-Formylphenoxy)propyl)triphenylphosphonium bromide
Database identifiers
- CAS
17954-76-6- PubChem CID
- 494052
- DTXSID
DTXSID90170827
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 1
- Complexity
- 472
Physicochemical properties
- Melting point
- 162 °C · 162 °C
Related reactions
0 records
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Compound notes
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