OJK

2-(aminomethyl)-5-chloranyl-benzene-1,4-diol

Created: 2021-03-22
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count6
2D diagram of OJK

Chemical Component Summary

Name2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
Systematic Name (OpenEye OEToolkits)2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
FormulaC7 H8 Cl N O2
Molecular Weight173.597
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385NCc1cc(O)c(Cl)cc1O
SMILESOpenEye OEToolkits2.0.7c1c(c(cc(c1O)Cl)O)CN
Canonical SMILESCACTVS3.385 NCc1cc(O)c(Cl)cc1O
Canonical SMILESOpenEye OEToolkits2.0.7 c1c(c(cc(c1O)Cl)O)CN
InChIInChI1.03 InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2
InChIKeyInChI1.03 HHRDPHVERPGLEM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 66799400