| CAS Number | 1235439-04-9 |
| Catalog Number | AG00HHBO |
| Chemical Name | [(5-Bromo-2-fluorophenyl)methyl](methyl)amine hydrochloride |
| IUPAC Name | 1-(5-bromo-2-fluorophenyl)-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C8H9BrFN.ClH/c1-11-5-6-4-7(9)2-3-8(6)10;/h2-4,11H,5H2,1H3;1H |
| InChI Key | WYGAUHSTMZCZPH-UHFFFAOYSA-N |
| MDL Number | MFCD16040059 |
| Molecular Formula | C8H10BrClFN |
| Molecular Weight | 254.5271 |
| SMILES | Cl.CNCC1=C(F)C=CC(Br)=C1 |
| Synonyms | [(5-bromo-2-fluorophenyl)methyl](methyl)amine hydrochloride,
1235439-04-9,
1-(5-Bromo-2-fluorophenyl)-N-methylmethanamine HCl,
1-(5-Bromo-2-fluorophenyl)-N-methylmethanamine hydrochloride,
AC1Q3BSC,
MFCD16040059,
AKOS027254173,
MCULE-8400689599,
NE25830,
EN300-61627,
Z1262250889,
|
| 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
Lot Number