| CAS Number | 1368090-12-3 |
| Catalog Number | AG01B2M1 |
| Chemical Name | 1-(4-bromophenyl)-2-[(2-hydroxyethyl)amino]ethan-1-ol |
| IUPAC Name | 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol |
| InChI | InChI=1S/C10H14BrNO2/c11-9-3-1-8(2-4-9)10(14)7-12-5-6-13/h1-4,10,12-14H,5-7H2 |
| InChI Key | BYMWMDIOMQFUPJ-UHFFFAOYSA-N |
| MDL Number | MFCD26779263 |
| Molecular Formula | C10H14BrNO2 |
| Molecular Weight | 260.1277 |
| SMILES | OCCNCC(C1=CC=C(Br)C=C1)O |
| Synonyms | 1-(4-bromophenyl)-2-[(2-hydroxyethyl)amino]ethan-1-ol,
1368090-12-3,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.131g/mol |
| Monoisotopic Mass | 259.021g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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