1Y6
Summary
Name: | 4-fluorobenzoic acid |
Formula: | C7 H5 F O2 |
Formal charge: | 0 |
Formula weight: | 140.112 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-fluorobenzoic acid |
OpenEye OEToolkits | 1.7.6 | 4-fluoranylbenzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(C(=O)O)cc1 |
InChI | InChI | 1.03 | InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
InChIKey | InChI | 1.03 | BBYDXOIZLAWGSL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(F)cc1 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(F)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)O)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)O)F |