445-05-6 Purity
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Specification
The molecular formula of 3-fluorobenzoic acid is C7H5FO2.
The molecular weight of 3-fluorobenzoic acid is 140.11 g/mol.
The IUPAC name of 3-fluorobenzoic acid is 3-fluorobenzoic acid.
The InChI of 3-fluorobenzoic acid is InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10).
The InChIKey of 3-fluorobenzoic acid is MXNBDFWNYRNIBH-UHFFFAOYSA-N.
The canonical SMILES of 3-fluorobenzoic acid is C1=CC(=CC(=C1)F)C(=O)O.
The CAS number of 3-fluorobenzoic acid is 455-38-9.
The ChEMBL ID of 3-fluorobenzoic acid is CHEMBL302365.
3-fluorobenzoic acid has 1 hydrogen bond donor count.
The topological polar surface area of 3-fluorobenzoic acid is 37.32.