| CAS Number | 1355246-95-5 |
| Catalog Number | AG007LE4(AGN-PC-0WAEC2) |
| Chemical Name | N,N-Diethyl 2-bromo-6-fluorobenzylamine |
| IUPAC Name | N-[(2-bromo-6-fluorophenyl)methyl]-N-ethylethanamine |
| InChI | InChI=1S/C11H15BrFN/c1-3-14(4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3 |
| InChI Key | WTAAMIGGRUJHAL-UHFFFAOYSA-N |
| MDL Number | MFCD21333060 |
| Molecular Formula | C11H15BrFN |
| Molecular Weight | 260.1459 |
| SMILES | CCN(Cc1c(F)cccc1Br)CC |
| Synonyms | N,N-Diethyl 2-bromo-6-fluorobenzylamine,
1355246-95-5,
ACMC-209c13,
CTK8B0357,
DTXSID80742734,
ANW-19861,
MFCD21333060,
ZINC85476839,
AKOS026672838,
TC-108606,
Z9945,
K-4292,
N-[(2-bromo-6-fluorophenyl)methyl]-N-ethylethanamine,
C11H15BrFN,
N-(2-bromo-6-fluorobenzyl)-N-ethylethanamine,
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| 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
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Certificate of Analysis
Lot Number