OJK
2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
Created: | 2021-03-22 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 19 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol |
Systematic Name (OpenEye OEToolkits) | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol |
Formula | C7 H8 Cl N O2 |
Molecular Weight | 173.597 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | NCc1cc(O)c(Cl)cc1O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cc(c1O)Cl)O)CN |
Canonical SMILES | CACTVS | 3.385 | NCc1cc(O)c(Cl)cc1O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cc(c1O)Cl)O)CN |
InChI | InChI | 1.03 | InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2 |
InChIKey | InChI | 1.03 | HHRDPHVERPGLEM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 66799400 |