| CAS Number | 1157011-71-6 |
| Catalog Number | AG01AAVE |
| Chemical Name | 2-(4-Aminophenoxy)-6-fluorobenzonitrile |
| IUPAC Name | 2-(4-aminophenoxy)-6-fluorobenzonitrile |
| InChI | InChI=1S/C13H9FN2O/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-7H,16H2 |
| InChI Key | WVIYONKOBSTSQQ-UHFFFAOYSA-N |
| MDL Number | MFCD12088074 |
| Molecular Formula | C13H9FN2O |
| Molecular Weight | 228.2218 |
| SMILES | NC1=CC=C(OC2=C(C#N)C(F)=CC=C2)C=C1 |
| Synonyms | 2-(4-aminophenoxy)-6-fluorobenzonitrile,
1157011-71-6,
EN300-69676,
AC1Q5247,
ZINC36306528,
AKOS009624306,
MCULE-1759172031,
NE55063,
SEL11317301,
Z1263824424,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.226g/mol |
| Monoisotopic Mass | 228.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number