T2F

4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid

Created:2022-12-20
Last modified:  2024-01-10

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count16
2D diagram of T2F

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Chemical Component Summary

Name4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid
Systematic Name (OpenEye OEToolkits)4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid
FormulaC16 H12 Cl N O2
Molecular Weight285.725
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3
SMILESOpenEye OEToolkits2.0.7Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O
Canonical SMILESCACTVS3.385 Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O
InChIInChI1.06 InChI=1S/C16H12ClNO2/c1-9-13(16(19)20)8-14(12-6-7-18-15(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3,(H,19,20)
InChIKeyInChI1.06 HXZMDXUYYVDPRW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 169501677