Basic information
- CAS
614-43-7- Standard SMILES
O=C(OCCF)c1ccccc1- InChIKey
HRGRPAXXFIOCAB-UHFFFAOYSA-N- Molecular formula
- C9H9FO2
- Average molar mass
- 168.16 g/mol
- Monoisotopic mass
- 168.05865769
Names & identifiers
- Preferred name
- Benzoic acid, 2-fluoroethyl ester
- IUPAC
- 2-fluoroethyl benzoate
- English name
- 2-Fluoroethyl=benzoate
- Molecular formula
- C9H9FO2
- Molecular weight
- 168.16
Names & synonyms
2-Fluoroethyl benzoateBENZOIC ACID, 2-FLUOROETHYL ESTERBRN 2208569614-43-7DTXSID802103224-09-00-00287 (Beilstein Handbook Reference)RefChem:326866Ethanol, 2-fluoro-, benzoate (6CI,8CI,9CI)DTXCID80132813Ethanol, 2-fluoro-, benzoateSCHEMBL2480043SCHEMBL10458171
Show more names
2-Fluoroethyl=benzoateEthanol, 2-fluoro-, 1-benzoate
Database identifiers
- CAS
614-43-7- PubChem CID
- 11965
- DTXSID
DTXSID80210322- Nikkaji
- J42.707A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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