| CAS Number | 1553956-45-8 |
| Catalog Number | AG01ALWP |
| Chemical Name | 2-(4-chloro-3-fluorophenoxy)acetonitrile |
| IUPAC Name | 2-(4-chloro-3-fluorophenoxy)acetonitrile |
| InChI | InChI=1S/C8H5ClFNO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,4H2 |
| InChI Key | YBTKGLQBGLCCSH-UHFFFAOYSA-N |
| MDL Number | MFCD24288331 |
| Molecular Formula | C8H5ClFNO |
| Molecular Weight | 185.5828 |
| SMILES | FC1=C(Cl)C=CC(OCC#N)=C1 |
| Synonyms | 2-(4-chloro-3-fluorophenoxy)acetonitrile,
1553956-45-8,
AKOS021023928,
ZINC134226748,
Z1539413038,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.00437g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.58g/mol |
| Monoisotopic Mass | 185.00437g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number