| CAS Number | 1645350-32-8 |
| Catalog Number | AG01BDME |
| Chemical Name | [(2-bromo-4-fluorophenyl)methyl](methyl)amine hydrochloride |
| IUPAC Name | 1-(2-bromo-4-fluorophenyl)-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C8H9BrFN.ClH/c1-11-5-6-2-3-7(10)4-8(6)9;/h2-4,11H,5H2,1H3;1H |
| InChI Key | YRALGUNGOSYJTP-UHFFFAOYSA-N |
| MDL Number | MFCD28023645 |
| Molecular Formula | C8H10BrClFN |
| Molecular Weight | 254.5271 |
| SMILES | Cl.CNCC1=C(Br)C=C(F)C=C1 |
| Synonyms | [(2-bromo-4-fluorophenyl)methyl](methyl)amine hydrochloride,
1645350-32-8,
AKOS030679615,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.527g/mol |
| Monoisotopic Mass | 252.967g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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