9TZ
Summary
Name: | 5-fluoranyl-2-methyl-benzoic acid |
Formula: | C8 H7 F O2 |
Formal charge: | 0 |
Formula weight: | 154.138 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 5-fluoranyl-2-methyl-benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChIKey | InChI | 1.03 | JVBLXLBINTYFPR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(F)cc1C(O)=O |
SMILES | CACTVS | 3.385 | Cc1ccc(F)cc1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C(=O)O)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C(=O)O)F |