T1Z

[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol

Created:2020-12-13
Last modified:  2022-01-12

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count11
2D diagram of T1Z

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Chemical Component Summary

Name[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol
Systematic Name (OpenEye OEToolkits)[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol
FormulaC9 H7 Cl2 N3 O
Molecular Weight244.077
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OCc1cn(nn1)c2ccc(Cl)c(Cl)c2
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1n2cc(nn2)CO)Cl)Cl
Canonical SMILESCACTVS3.385 OCc1cn(nn1)c2ccc(Cl)c(Cl)c2
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(c(cc1n2cc(nn2)CO)Cl)Cl
InChIInChI1.03 InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2
InChIKeyInChI1.03 DMIRTDWEKUNBDX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 1475797
ChEMBL CHEMBL1823290