| CAS Number | 887139-06-2 |
| Catalog Number | AG01C07L(AGN-PC-06FGA4) |
| Chemical Name | 1-(4-Bromo-2-fluorophenyl)-n-methylmethanamine |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)-N-methylmethanamine |
| InChI | InChI=1S/C8H9BrFN/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3 |
| InChI Key | KTZKPKRLQCZXOX-UHFFFAOYSA-N |
| MDL Number | MFCD11204740 |
| Molecular Formula | C8H9BrFN |
| Molecular Weight | 218.0662 |
| SMILES | CNCC1=C(F)C=C(Br)C=C1 |
| Synonyms | 1-(4-bromo-2-fluorophenyl)-N-methylmethanamine,
887139-06-2,
1280952-49-9,
SCHEMBL18839297,
CTK6I5411,
MFCD11204740,
ZINC36923363,
AKOS009023685,
AM87992,
MCULE-6306904260,
N-(4-Bromo-2-fluorobenzyl)-N-methylamine,
[(4-bromo-2-fluorophenyl)methyl](methyl)amine,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number