1-Allyl-3-fluoro-5-isobutoxybenzene
Basic information
- CAS
1443349-12-9- Standard SMILES
C=CCc1cc(F)cc(OCC(C)C)c1- InChIKey
IVOZMBQLJHCOIR-UHFFFAOYSA-N- Molecular formula
- C13H17FO
- Average molar mass
- 208.27 g/mol
- Monoisotopic mass
- 208.12634332
Names & identifiers
- Preferred name
- 1-Allyl-3-fluoro-5-isobutoxybenzene
- IUPAC
- 1-fluoro-3-(2-methylpropoxy)-5-prop-2-enylbenzene
Names & synonyms
1443349-12-91-Allyl-3-fluoro-5-isobutoxybenzene3-(3-iso-Butoxy-5-fluorophenyl)-1-propeneDTXSID301201533MFCD184266851-allyl-3-fluoro-5-isobutoxy-benzene1-Fluoro-3-(2-methylpropoxy)-5-(prop-2-en-1-yl)benzeneBenzene, 1-fluoro-3-(2-methylpropoxy)-5-(2-propen-1-yl)-
Database identifiers
- CAS
1443349-12-9- PubChem CID
- 91657331
- DTXSID
DTXSID301201533
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
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Compound notes
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