RLM
2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol
Created: | 2013-05-13 |
Last modified: | 2014-09-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol |
Systematic Name (OpenEye OEToolkits) | 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol |
Formula | C12 H9 Cl2 N O2 |
Molecular Weight | 270.111 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1O)Nc2ccc(O)cc2 |
SMILES | CACTVS | 3.385 | Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O |
Canonical SMILES | CACTVS | 3.385 | Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H |
InChIKey | InChI | 1.03 | IFTGQCOAUCEONK-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 622906 |