| CAS Number | 1423034-49-4 |
| Catalog Number | AG01A1RP |
| Chemical Name | 2-(benzyloxy)-5-fluoroaniline hydrochloride |
| IUPAC Name | 5-fluoro-2-phenylmethoxyaniline;hydrochloride |
| InChI | InChI=1S/C13H12FNO.ClH/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10;/h1-8H,9,15H2;1H |
| InChI Key | ZRSMWFYDPYYZGI-UHFFFAOYSA-N |
| MDL Number | MFCD22565918 |
| Molecular Formula | C13H13ClFNO |
| Molecular Weight | 253.6998 |
| SMILES | Cl.NC1=C(OCC2=CC=CC=C2)C=CC(F)=C1 |
| Synonyms | 2-(benzyloxy)-5-fluoroaniline hydrochloride,
1423034-49-4,
NE55376,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.701g/mol |
| Monoisotopic Mass | 253.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number