| CAS Number | 1909306-33-7 |
| Catalog Number | AG01C1OR |
| Chemical Name | 3-amino-2-[(3-bromo-4-fluorophenyl)methyl]propan-1-ol hydrochloride |
| IUPAC Name | 2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C10H13BrFNO.ClH/c11-9-4-7(1-2-10(9)12)3-8(5-13)6-14;/h1-2,4,8,14H,3,5-6,13H2;1H |
| InChI Key | ZTWNXGOCXHIZQT-UHFFFAOYSA-N |
| MDL Number | MFCD29047389 |
| Molecular Formula | C10H14BrClFNO |
| Molecular Weight | 298.5797 |
| SMILES | Cl.NCC(CC1=CC(Br)=C(F)C=C1)CO |
| Synonyms | 3-amino-2-[(3-bromo-4-fluorophenyl)methyl]propan-1-ol hydrochloride,
1909306-33-7,
Z2238508614,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.58g/mol |
| Monoisotopic Mass | 296.993g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number