| CAS Number | 1341652-79-6 |
| Catalog Number | AG01AN3C |
| Chemical Name | 2-(3-Chloro-4-fluorophenoxy)acetonitrile |
| IUPAC Name | 2-(3-chloro-4-fluorophenoxy)acetonitrile |
| InChI | InChI=1S/C8H5ClFNO/c9-7-5-6(12-4-3-11)1-2-8(7)10/h1-2,5H,4H2 |
| InChI Key | DMXZGGPJOUQRAE-UHFFFAOYSA-N |
| MDL Number | MFCD18839853 |
| Molecular Formula | C8H5ClFNO |
| Molecular Weight | 185.5828 |
| SMILES | FC1=C(Cl)C=C(OCC#N)C=C1 |
| Synonyms | 2-(3-chloro-4-fluorophenoxy)acetonitrile,
1341652-79-6,
2-(3-Chloro-4-fluoro-phenoxy)acetonitrile,
ZINC70168497,
AKOS008951019,
Z54976055,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.582g/mol |
| Monoisotopic Mass | 185.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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