| CAS Number | 937597-93-8 |
| Catalog Number | AG00IOYM(AGN-PC-0WATHX) |
| Chemical Name | 3-Fluoro-4-(3-fluorophenoxy)aniline |
| IUPAC Name | 3-fluoro-4-(3-fluorophenoxy)aniline |
| InChI | InChI=1S/C12H9F2NO/c13-8-2-1-3-10(6-8)16-12-5-4-9(15)7-11(12)14/h1-7H,15H2 |
| InChI Key | LTSPBCBEKNXKOB-UHFFFAOYSA-N |
| MDL Number | MFCD08687815 |
| Molecular Formula | C12H9F2NO |
| Molecular Weight | 221.2028 |
| SMILES | NC1=CC=C(OC2=CC=CC(F)=C2)C(F)=C1 |
| Synonyms | 3-FLUORO-4-(3-FLUOROPHENOXY)ANILINE,
937597-93-8,
CTK7D6752,
KS-00001W8Q,
MFCD08687815,
ZINC14630671,
AKOS000318370,
MCULE-2898281403,
TR-046910,
3Y-7016,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.207g/mol |
| Monoisotopic Mass | 221.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number