| CAS Number | 1287218-19-2 |
| Catalog Number | AG000YC2(AGN-PC-0WA4G6) |
| Chemical Name | 1-Bromo-2-fluoro-3-(methylaminomethyl)benzene |
| IUPAC Name | 1-(3-bromo-2-fluorophenyl)-N-methylmethanamine |
| InChI | InChI=1S/C8H9BrFN/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3 |
| InChI Key | IZQODLGNZJGXKF-UHFFFAOYSA-N |
| MDL Number | MFCD18089186 |
| Molecular Formula | C8H9BrFN |
| Molecular Weight | 218.0662 |
| SMILES | CNCC1=C(F)C(Br)=CC=C1 |
| Synonyms | 1287218-19-2,
1-Bromo-2-fluoro-3-(methylaminomethyl)benzene,
N-(3-Bromo-2-fluorobenzyl)-N-methylamine,
1-(3-bromo-2-fluorophenyl)-N-methylmethanamine,
[(3-bromo-2-fluorophenyl)methyl](methyl)amine,
ACMC-209bfk,
SCHEMBL19233952,
CTK8B0003,
KS-00003TKT,
DTXSID40693197,
ANW-19086,
MFCD18089186,
ZINC67801449,
AKOS023440583,
TS-03120,
TC-107831,
Z9436,
X-4573,
Benzenemethanamine, 3-bromo-2-fluoro-N-methyl-,
C8H9BrFN,
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| 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
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Certificate of Analysis
Lot Number