98Q

5-methoxy-6-(trifluoromethyl)-1~{H}-indole

Created:2017-04-28
Last modified:  2021-06-30

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count24
Aromatic Bond Count10
2D diagram of 98Q

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Chemical Component Summary

Name5-methoxy-6-(trifluoromethyl)-1~{H}-indole
Systematic Name (OpenEye OEToolkits)5-methoxy-6-(trifluoromethyl)-1~{H}-indole
FormulaC10 H8 F3 N O
Molecular Weight215.172
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1cc2cc[nH]c2cc1C(F)(F)F
SMILESOpenEye OEToolkits2.0.6COc1cc2cc[nH]c2cc1C(F)(F)F
Canonical SMILESCACTVS3.385 COc1cc2cc[nH]c2cc1C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.6 COc1cc2cc[nH]c2cc1C(F)(F)F
InChIInChI1.03 InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3
InChIKeyInChI1.03 KNMAZUXTEPXPOM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 10822552