| CAS Number | 2044927-18-4 |
| Catalog Number | AG01BVEX |
| Chemical Name | 1-(4-Bromo-2,5-difluorophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(4-bromo-2,5-difluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H8BrF2N.ClH/c1-4(12)5-2-8(11)6(9)3-7(5)10;/h2-4H,12H2,1H3;1H |
| InChI Key | BEMLJGMQSDTWNE-UHFFFAOYSA-N |
| MDL Number | MFCD30476371 |
| Molecular Formula | C8H9BrClF2N |
| Molecular Weight | 272.5176 |
| SMILES | Cl.BrC1=CC(=C(C=C1F)C(C)N)F |
| Synonyms | 1-(4-bromo-2,5-difluorophenyl)ethan-1-amine hydrochloride,
2044927-18-4,
Z2679906773,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.518g/mol |
| Monoisotopic Mass | 270.957g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number