NSL

4-Hydroxyazobenzene

Created: 2019-04-15
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count12
2D diagram of NSL

Chemical Component Summary

Name4-Hydroxyazobenzene
Synonyms4-[(E)-phenyldiazenyl]phenol
Systematic Name (OpenEye OEToolkits)4-[(~{E})-phenyldiazenyl]phenol
FormulaC12 H10 N2 O
Molecular Weight198.221
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1ccc(cc1)\N=N\c2ccc(O)cc2
SMILESCACTVS3.385Oc1ccc(cc1)N=Nc2ccccc2
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N=Nc2ccc(cc2)O
Canonical SMILESCACTVS3.385 Oc1ccc(cc1)N=Nc2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)/N=N/c2ccc(cc2)O
InChIInChI1.03 InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
InChIKeyInChI1.03 BEYOBVMPDRKTNR-BUHFOSPRSA-N

Related Resource References

Resource NameReference
CCDC/CSD KOXBII01