| CAS Number | 1355247-98-1 |
| Catalog Number | AG006YUG(AGN-PC-0WA4GR) |
| Chemical Name | 1-Bromo-3-fluoro-2-(benzylaminomethyl)benzene |
| IUPAC Name | N-[(2-bromo-6-fluorophenyl)methyl]-1-phenylmethanamine |
| InChI | InChI=1S/C14H13BrFN/c15-13-7-4-8-14(16)12(13)10-17-9-11-5-2-1-3-6-11/h1-8,17H,9-10H2 |
| InChI Key | AZSFPFGHUNVLDO-UHFFFAOYSA-N |
| MDL Number | MFCD21333057 |
| Molecular Formula | C14H13BrFN |
| Molecular Weight | 294.1621 |
| SMILES | Fc1cccc(c1CNCc1ccccc1)Br |
| Synonyms | 1-Bromo-3-fluoro-2-(benzylaminomethyl)benzene,
1355247-98-1,
N-Benzyl-1-(2-bromo-6-fluorophenyl)methanamine,
ACMC-209c30,
CTK8B0425,
DTXSID10742803,
ANW-19930,
MFCD21333057,
ZINC85476940,
TC-108675,
V2479,
K-4313,
C14H13BrFN,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.167g/mol |
| Monoisotopic Mass | 293.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number