Basic information
- CAS
29052-04-8- Standard SMILES
CCCC(=O)Oc1cccc(F)c1- InChIKey
SHCNTDLJWWRFEU-UHFFFAOYSA-N- Molecular formula
- C10H11FO2
- Average molar mass
- 182.19 g/mol
- Monoisotopic mass
- 182.07430775
Names & identifiers
- Preferred name
- 3-Fluorophenyl butyrate
- IUPAC
- (3-fluorophenyl) butanoate
- English name
- Butyric acid 3-fluorophenyl ester
- Molecular formula
- C10H11FO2
- Molecular weight
- 182.19
Names & synonyms
3-Fluorophenyl butyrateButyric acid, m-fluorophenyl ester29052-04-8DTXSID40337004RefChem:279536DTXCID90288092SHCNTDLJWWRFEU-UHFFFAOYSA-N3-fluorophenyl butanoate3-Fluorophenyl butyrate #SCHEMBL6556364Butyric acid 3-fluorophenyl esterButanoic acid, 3-fluorophenyl ester
Database identifiers
- CAS
29052-04-8- PubChem CID
- 537816
- DTXSID
DTXSID40337004- Nikkaji
- J101.961I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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