Basic information
- CAS
77206-90-7- Standard SMILES
CCCCCCCCOC(=O)c1cccc(F)c1- InChIKey
FVYWRMGARVZVOD-UHFFFAOYSA-N- Molecular formula
- C15H21FO2
- Average molar mass
- 252.32 g/mol
- Monoisotopic mass
- 252.15255807
Names & identifiers
- Preferred name
- Benzoic acid, 3-fluoro-, octyl ester
- IUPAC
- octyl 3-fluorobenzoate
Names & synonyms
Benzoic acid, 3-fluoro-, octyl ester77206-90-7RefChem:327215Octyl 3-fluorobenzoate3-Fluorobenzoic acid, octyl esterOctyl 3-fluorobenzoate #FVYWRMGARVZVOD-UHFFFAOYSA-NDTXSID601289722
Database identifiers
- CAS
77206-90-7- PubChem CID
- 579484
- DTXSID
DTXSID601289722
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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