71B
3-fluoro-4-methoxyaniline
| Created: | 2016-08-09 |
| Last modified: | 2017-02-15 |
Find Related PDB Entry |
|---|
Find related ligands: |
|---|
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 18 |
| Chiral Atom Count | 0 |
| Bond Count | 18 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
|---|---|
| Name | 3-fluoro-4-methoxyaniline |
| Systematic Name (OpenEye OEToolkits) | 3-fluoranyl-4-methoxy-aniline |
| Formula | C7 H8 F N O |
| Molecular Weight | 141.143 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1F)N |
| SMILES | CACTVS | 3.385 | COc1ccc(N)cc1F |
| SMILES | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1F)N |
| Canonical SMILES | CACTVS | 3.385 | COc1ccc(N)cc1F |
| Canonical SMILES | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1F)N |
| InChI | InChI | 1.03 | InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3 |
| InChIKey | InChI | 1.03 | LJWAPDSCYTZUJU-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 581110 |
| CCDC/CSD | PEPRIN |
