| CAS Number | 179687-94-6 |
| Catalog Number | AG019TJL |
| Chemical Name | 3-Fluoro-4-(pyridin-2-ylmethoxy)aniline |
| IUPAC Name | 3-fluoro-4-(pyridin-2-ylmethoxy)aniline |
| InChI | InChI=1S/C12H11FN2O/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10/h1-7H,8,14H2 |
| InChI Key | HNQBCXSDSXMOQC-UHFFFAOYSA-N |
| MDL Number | MFCD08699624 |
| Molecular Formula | C12H11FN2O |
| Molecular Weight | 218.2269 |
| SMILES | NC1=CC(F)=C(OCC2=NC=CC=C2)C=C1 |
| Synonyms | 3-FLUORO-4-(PYRIDIN-2-YLMETHOXY)ANILINE,
179687-94-6,
3-fluoro-4-(2-pyridylmethoxy)phenylamine,
Benzenamine, 3-fluoro-4-(2-pyridinylmethoxy)-,
SCHEMBL6068690,
CTK7D6778,
SBB024434,
STL414694,
ZINC20352212,
AKOS000318428,
MCULE-6273069824,
3-fluoro-4-[(pyridin-2-yl)methoxy]aniline,
ST45136246,
Z1318268692,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.231g/mol |
| Monoisotopic Mass | 218.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number