| CAS Number | 1355246-99-9 |
| Catalog Number | AG007LE1(AGN-PC-0WA4G4) |
| Chemical Name | 1-Bromo-2-fluoro-3-(diethylaminomethyl)benzene |
| IUPAC Name | N-[(3-bromo-2-fluorophenyl)methyl]-N-ethylethanamine |
| InChI | InChI=1S/C11H15BrFN/c1-3-14(4-2)8-9-6-5-7-10(12)11(9)13/h5-7H,3-4,8H2,1-2H3 |
| InChI Key | HKTBOVMPELHPIA-UHFFFAOYSA-N |
| MDL Number | MFCD21333077 |
| Molecular Formula | C11H15BrFN |
| Molecular Weight | 260.1459 |
| SMILES | CCN(CC1=C(F)C(Br)=CC=C1)CC |
| Synonyms | 1-Bromo-2-fluoro-3-(diethylaminomethyl)benzene,
1355246-99-9,
ACMC-209c17,
CTK8B0361,
DTXSID20742738,
ANW-19865,
MFCD21333077,
ZINC85476845,
AKOS026672841,
TC-108610,
Z0138,
Q-7718,
N-[(3-bromo-2-fluorophenyl)methyl]-N-ethylethanamine,
C11H15BrFN,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.15g/mol |
| Monoisotopic Mass | 259.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number