| CAS Number | 1373920-84-3 |
| Catalog Number | AG009IM6(AGN-PC-0WAOW9) |
| Chemical Name | 2-(6-Chloro-2,3-difluorophenyl)acetonitrile |
| IUPAC Name | 2-(6-chloro-2,3-difluorophenyl)acetonitrile |
| InChI | InChI=1S/C8H4ClF2N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2 |
| InChI Key | DZNGMYTZQJRVAF-UHFFFAOYSA-N |
| MDL Number | MFCD22201041 |
| Molecular Formula | C8H4ClF2N |
| Molecular Weight | 187.5739 |
| SMILES | FC1=CC=C(Cl)C(CC#N)=C1F |
| Synonyms | 1373920-84-3,
6-Chloro-2,3-difluorophenylacetonitrile,
2-(6-Chloro-2,3-difluorophenyl)acetonitrile,
MFCD22201041,
SCHEMBL20535022,
ZINC91252177,
AKOS026670967,
FCH2302240,
JS-5044,
PC302366,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.574g/mol |
| Monoisotopic Mass | 187g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number