| CAS Number | 1016736-33-6 |
| Catalog Number | AG019ZQP |
| Chemical Name | 2-(2-Amino-5-fluorophenoxy)acetonitrile |
| IUPAC Name | 2-(2-amino-5-fluorophenoxy)acetonitrile |
| InChI | InChI=1S/C8H7FN2O/c9-6-1-2-7(11)8(5-6)12-4-3-10/h1-2,5H,4,11H2 |
| InChI Key | JAFRWBLIAIXVOD-UHFFFAOYSA-N |
| MDL Number | MFCD09814572 |
| Molecular Formula | C8H7FN2O |
| Molecular Weight | 166.1524 |
| SMILES | NC1=C(OCC#N)C=C(C=C1)F |
| Synonyms | 2-(2-AMINO-5-FLUOROPHENOXY)ACETONITRILE,
1016736-33-6,
CTK7D8147,
ZINC19275084,
AKOS000152036,
MCULE-3047808257,
NE38222,
RP22877,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.155g/mol |
| Monoisotopic Mass | 166.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number