| CAS Number | 1355248-25-7 |
| Catalog Number | AG009WL4(AGN-PC-0WAA1K) |
| Chemical Name | 4-Bromo-2-(diethylaminomethyl)-1-fluorobenzene |
| IUPAC Name | N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylethanamine |
| InChI | InChI=1S/C11H15BrFN/c1-3-14(4-2)8-9-7-10(12)5-6-11(9)13/h5-7H,3-4,8H2,1-2H3 |
| InChI Key | GWMIATXNJMUOCA-UHFFFAOYSA-N |
| MDL Number | MFCD21333055 |
| Molecular Formula | C11H15BrFN |
| Molecular Weight | 260.1459 |
| SMILES | c1(c(ccc(c1)Br)F)CN(CC)CC |
| Synonyms | 1355248-25-7,
4-Bromo-2-(diethylaminomethyl)-1-fluorobenzene,
N-(5-bromo-2-fluorobenzyl)-N-ethylethanamine,
ACMC-209c3l,
CTK8B0446,
DTXSID10742823,
ANW-19951,
MFCD21333055,
ZINC42377208,
AKOS025286425,
AM86556,
BBV-44222418,
TC-108696,
Z0140,
Q-7706,
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylethanamine,
C11H15BrFN,
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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