| CAS Number | 1250555-28-2 |
| Catalog Number | AG01BDVR |
| Chemical Name | [(4-Bromo-3-fluorophenyl)methyl](methyl)amine |
| IUPAC Name | 1-(4-bromo-3-fluorophenyl)-N-methylmethanamine |
| InChI | InChI=1S/C8H9BrFN/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3 |
| InChI Key | BRWZARWIGCMZNR-UHFFFAOYSA-N |
| MDL Number | MFCD16084750 |
| Molecular Formula | C8H9BrFN |
| Molecular Weight | 218.0662 |
| SMILES | CNCC1=CC(F)=C(Br)C=C1 |
| Synonyms | [(4-bromo-3-fluorophenyl)methyl](methyl)amine,
1250555-28-2,
SCHEMBL17176781,
ZINC43576925,
AKOS010971471,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.069g/mol |
| Monoisotopic Mass | 216.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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