| CAS Number | 216873-74-4 |
| Catalog Number | AG019LXI(AGN-PC-0WODU0) |
| Chemical Name | [(3-Bromo-4-fluorophenyl)methyl](methyl)amine |
| IUPAC Name | 1-(3-bromo-4-fluorophenyl)-N-methylmethanamine |
| InChI | InChI=1S/C8H9BrFN/c1-11-5-6-2-3-8(10)7(9)4-6/h2-4,11H,5H2,1H3 |
| InChI Key | PHSSCQKIEHFJLP-UHFFFAOYSA-N |
| MDL Number | MFCD09728123 |
| Molecular Formula | C8H9BrFN |
| Molecular Weight | 218.0662 |
| SMILES | BrC=1C=C(C=CC1F)CNC |
| Synonyms | [(3-bromo-4-fluorophenyl)methyl](methyl)amine,
216873-74-4,
Benzenemethanamine, 3-bromo-4-fluoro-N-methyl-,
SCHEMBL1363941,
CTK6I5364,
PHSSCQKIEHFJLP-UHFFFAOYSA-N,
ZINC22163103,
AKOS000136872,
[(3-Bromo-4-fluorophenyl)methyl]methylamine,
N-(3-BROMO-4-FLUOROBENZYL)-N-METHYLAMINE,
|
| 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
Lot Number