Benzoic acid, 3-fluoro-, methyl ester
methyl 3-fluorobenzoate
Also Known As: Methyl 3-fluorobenzoate|3-fluorobenzoic acid methyl ester|methyl3-fluorobenzoate|methyl m-fluorobenzoate|benzoic acid, 3-fluoro-, methyl ester|3-Fluorobenzoic acid, methyl ester|Methyl 3-fluorobenzoate #|3-F-C6H4-COOCH3|3-fluoro-benzoic acid methyl ester|KS-00000BJ8|AB9708|CS-W019585|PS-8879|I514|2-(2-METHYLPIPERIDIN-1-YL)ETHANOL
| Molecular Formula | C8H7FO2 |
|---|---|
| Molecular Weight | 154.04301 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.04301 |
| Monoisotopic Mass | 154.04301 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 455-68-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)F |
| InChIKey | YXZNVLYXBIIIOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-fluoro-, methyl ester (CAS 455-68-5), with molecular formula C8H7FO2 and molecular weight 154.04301 g/mol. IUPAC: methyl 3-fluorobenzoate.
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