NSL
4-Hydroxyazobenzene
| Created: | 2019-04-15 |
| Last modified: | 2021-03-01 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 25 |
| Chiral Atom Count | 0 |
| Bond Count | 26 |
| Aromatic Bond Count | 12 |
Chemical Component Summary | |
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| Name | 4-Hydroxyazobenzene |
| Synonyms | 4-[(E)-phenyldiazenyl]phenol |
| Systematic Name (OpenEye OEToolkits) | 4-[(~{E})-phenyldiazenyl]phenol |
| Formula | C12 H10 N2 O |
| Molecular Weight | 198.221 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)\N=N\c2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)N=Nc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N=Nc2ccc(cc2)O |
| Canonical SMILES | CACTVS | 3.385 | Oc1ccc(cc1)N=Nc2ccccc2 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/N=N/c2ccc(cc2)O |
| InChI | InChI | 1.03 | 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+ |
| InChIKey | InChI | 1.03 | BEYOBVMPDRKTNR-BUHFOSPRSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| CCDC/CSD | KOXBII01 |














