98K

2-chloranyl-1~{H}-benzimidazole

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

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count16
Aromatic Bond Count10
2D diagram of 98K

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Chemical Component Summary

Name2-chloranyl-1~{H}-benzimidazole
Systematic Name (OpenEye OEToolkits)2-chloranyl-1~{H}-benzimidazole
FormulaC7 H5 Cl N2
Molecular Weight152.581
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Clc1[nH]c2ccccc2n1
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)[nH]c(n2)Cl
Canonical SMILESCACTVS3.385 Clc1[nH]c2ccccc2n1
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)[nH]c(n2)Cl
InChIInChI1.03 InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
InChIKeyInChI1.03 AYPSHJCKSDNETA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 78572
CCDC/CSD WISDEH
COD 2005184