MFZ

3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol

Created: 2015-11-30
Last modified:  2015-12-23

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count10
2D diagram of MFZ

Chemical Component Summary

Name3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol
Systematic Name (OpenEye OEToolkits)3-[4,7-bis(chloranyl)-1H-indol-3-yl]prop-2-yn-1-ol
FormulaC11 H7 Cl2 N O
Molecular Weight240.085
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OCC#Cc1c[nH]c2c(Cl)ccc(Cl)c12
SMILESOpenEye OEToolkits1.7.6c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl
Canonical SMILESCACTVS3.385 OCC#Cc1c[nH]c2c(Cl)ccc(Cl)c12
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl
InChIInChI1.03 InChI=1S/C11H7Cl2NO/c12-8-3-4-9(13)11-10(8)7(6-14-11)2-1-5-15/h3-4,6,14-15H,5H2
InChIKeyInChI1.03 VIZAOCOKGQUJRZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 102006364