A1AW7
Summary
| Name: | 4-bromo-3-[(dimethylamino)methyl]phenol |
| Formula: | C9 H12 Br N O |
| Formal charge: | 0 |
| Formula weight: | 230.102 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromo-3-[(dimethylamino)methyl]phenol |
| OpenEye OEToolkits | 2.0.7 | 4-bromanyl-3-[(dimethylamino)methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(O)cc1CN(C)C |
| InChI | InChI | 1.06 | InChI=1S/C9H12BrNO/c1-11(2)6-7-5-8(12)3-4-9(7)10/h3-5,12H,6H2,1-2H3 |
| InChIKey | InChI | 1.06 | ZOJBOFJPDLZFEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1cc(O)ccc1Br |
| SMILES | CACTVS | 3.385 | CN(C)Cc1cc(O)ccc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1cc(ccc1Br)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1cc(ccc1Br)O |
