| CAS Number | 1609400-18-1 |
| Catalog Number | AG00J3MV |
| Chemical Name | [2-(4-fluorophenyl)ethyl](4-nitrobenzyl)amine hydrobromide |
| IUPAC Name | 2-(4-fluorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrobromide |
| InChI | InChI=1S/C15H15FN2O2.BrH/c16-14-5-1-12(2-6-14)9-10-17-11-13-3-7-15(8-4-13)18(19)20;/h1-8,17H,9-11H2;1H |
| InChI Key | WUCXOTPSUGANKQ-UHFFFAOYSA-N |
| MDL Number | MFCD13186495 |
| Molecular Formula | C15H16BrFN2O2 |
| Molecular Weight | 355.2021 |
| SMILES | [N+](=O)([O-])C1=CC=C(C=C1)CNCCC1C=CC(F)=CC=1.Br |
| Synonyms | [2-(4-fluorophenyl)ethyl](4-nitrobenzyl)amine hydrobromide,
1609400-18-1,
ZX-CM015871,
MFCD13186495,
355383-13-0,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.207g/mol |
| Monoisotopic Mass | 354.038g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number