C1M

1-(4-CHLOROPHENYL)-1H-TETRAZOLE

Created:2005-12-08
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count18
Aromatic Bond Count12
2D diagram of C1M

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Chemical Component Summary

Name1-(4-CHLOROPHENYL)-1H-TETRAZOLE
SynonymsINHIBITOR OF THROMBIN
Systematic Name (OpenEye OEToolkits)1-(4-chlorophenyl)-1,2,3,4-tetrazole
FormulaC7 H5 Cl N4
Molecular Weight180.594
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)n2nnnc2
SMILESCACTVS3.352Clc1ccc(cc1)n2cnnn2
SMILESOpenEye OEToolkits1.6.1c1cc(ccc1n2cnnn2)Cl
Canonical SMILESCACTVS3.352 Clc1ccc(cc1)n2cnnn2
Canonical SMILESOpenEye OEToolkits1.6.1 c1cc(ccc1n2cnnn2)Cl
InChIInChI1.03 InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H
InChIKeyInChI1.03 FVXFXVKZUVWQGE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 270006
ChEMBL CHEMBL440394
CCDC/CSD ZAPJEH
COD 2234688