Butyl 2-(4-((5-iodo-2-pyridyl)oxy)phenoxy)propionate
Basic information
- CAS
79438-66-7- Standard SMILES
CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(I)cn2)cc1- InChIKey
WSBOTHAZBPBGGW-UHFFFAOYSA-N- Molecular formula
- C18H20INO4
- Average molar mass
- 441.3 g/mol
- Monoisotopic mass
- 441.04371
Names & identifiers
- Preferred name
- Butyl 2-(4-((5-iodo-2-pyridyl)oxy)phenoxy)propionate
- IUPAC
- butyl 2-[4-[(5-iodo-2-pyridinyl)oxy]phenoxy]propanoate
- English name
- butyl 2-[4-[(5-iodo-2-pyridyl)oxy]phenoxy]propionate
- Molecular formula
- C18H20INO4
- Molecular weight
- 441.26017
Names & synonyms
79438-66-7Butyl 2-(4-((5-iodo-2-pyridyl)oxy)phenoxy)propionateEINECS 279-156-9SCHEMBL11303255WSBOTHAZBPBGGW-UHFFFAOYSA-NDTXSID501000464BUTYL 2-{4-[(5-IODOPYRIDIN-2-YL)OXY]PHENOXY}PROPANOATENS00061016butyl 2-[4-[(5-iodo-2-pyridyl)oxy]phenoxy]propionate2-[4-[(5-Iodo-2-pyridinyl)oxy]phenoxy]propanoic acid butyl ester
Database identifiers
- CAS
79438-66-7- PubChem CID
- 3018835
- DTXSID
DTXSID501000464- EC Number
- 279-156-9
- Nikkaji
- J319.269E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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