| CAS Number | 1365271-82-4 |
| Catalog Number | AG0011YR(AGN-PC-0WAEOF) |
| Chemical Name | N-Phenyl 2-bromo-6-fluorobenzylamine |
| IUPAC Name | N-[(2-bromo-6-fluorophenyl)methyl]aniline |
| InChI | InChI=1S/C13H11BrFN/c14-12-7-4-8-13(15)11(12)9-16-10-5-2-1-3-6-10/h1-8,16H,9H2 |
| InChI Key | AREHQHGUQHGHSN-UHFFFAOYSA-N |
| MDL Number | MFCD21609710 |
| Molecular Formula | C13H11BrFN |
| Molecular Weight | 280.1355 |
| SMILES | Fc1cccc(c1CNc1ccccc1)Br |
| Synonyms | N-Phenyl 2-bromo-6-fluorobenzylamine,
1365271-82-4,
ACMC-20aix5,
ANW-75447,
MFCD21609710,
ZINC85476359,
TC-164192,
V2567,
B-8897,
Benzenemethanamine, 2-bromo-6-fluoro-N-phenyl-,
C13H17BrFN,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.14g/mol |
| Monoisotopic Mass | 279.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number