1Y6

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Summary

Name:4-fluorobenzoic acid
Formula:C7 H5 F O2
Formal charge:0
Molecular weight:140.112 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-fluorobenzoic acid
OpenEye OEToolkits1.7.64-fluoranylbenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(C(=O)O)cc1
InChIInChI1.03InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKeyInChI1.03BBYDXOIZLAWGSL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(F)cc1
SMILESCACTVS3.385OC(=O)c1ccc(F)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1C(=O)O)F
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1C(=O)O)F
167518
PDB entries from 2020-08-12