| CAS Number | 1221724-44-2 |
| Catalog Number | AG01A82G |
| Chemical Name | 4-[(2-Fluorophenyl)methoxy]aniline hydrochloride |
| IUPAC Name | 4-[(2-fluorophenyl)methoxy]aniline;hydrochloride |
| InChI | InChI=1S/C13H12FNO.ClH/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12;/h1-8H,9,15H2;1H |
| InChI Key | WMDZKSGXNSTUSD-UHFFFAOYSA-N |
| MDL Number | MFCD15209590 |
| Molecular Formula | C13H13ClFNO |
| Molecular Weight | 253.6998 |
| SMILES | Cl.NC1=CC=C(OCC2=C(F)C=CC=C2)C=C1 |
| Synonyms | 4-[(2-fluorophenyl)methoxy]aniline hydrochloride,
1221724-44-2,
AC1Q3CZ4,
CTK7D7814,
MCULE-6204584236,
NE15882,
EN300-60551,
Z1262250769,
|
| Complexity | 204 |
| 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