K2P

2-(trifluoromethoxy)benzoic acid

Created:2018-10-25
Last modified:  2018-12-19

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count6
2D diagram of K2P

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Chemical Component Summary

Name2-(trifluoromethoxy)benzoic acid
Systematic Name (OpenEye OEToolkits)2-(trifluoromethyloxy)benzoic acid
FormulaC8 H5 F3 O3
Molecular Weight206.119
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccc(c(c1)OC(F)(F)F)C(O)=O
SMILESCACTVS3.385OC(=O)c1ccccc1OC(F)(F)F
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)C(=O)O)OC(F)(F)F
Canonical SMILESCACTVS3.385 OC(=O)c1ccccc1OC(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(c(c1)C(=O)O)OC(F)(F)F
InChIInChI1.03 InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChIKeyInChI1.03 JMYSPFGUBNENSE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2777223