| CAS Number | 633317-69-8 |
| Catalog Number | AG00VROU(AGN-PC-01LRD8) |
| Chemical Name | 2-(2-Chloro-6-(trifluoromethyl)phenyl)acetonitrile |
| IUPAC Name | 2-[2-chloro-6-(trifluoromethyl)phenyl]acetonitrile |
| InChI | InChI=1S/C9H5ClF3N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3H,4H2 |
| InChI Key | MJCPWXFGJWYXER-UHFFFAOYSA-N |
| MDL Number | MFCD06660233 |
| Molecular Formula | C9H5ClF3N |
| Molecular Weight | 219.5909 |
| SMILES | FC(C1=C(CC#N)C(Cl)=CC=C1)(F)F |
| Synonyms | 2-Chloro-6-(trifluoromethyl)phenylacetonitrile,
633317-69-8,
2-(2-Chloro-6-(trifluoromethyl)phenyl)acetonitrile,
2-[2-CHLORO-6-(TRIFLUOROMETHYL)PHENYL]ACETONITRILE,
SCHEMBL12020324,
CTK7C9631,
JRD-1819,
MFCD06660233,
SBB095838,
ZINC39712933,
AKOS015956737,
FCH1380389,
JS-4438,
PC302025,
2-[6-chloro-2-(trifluoromethyl)phenyl]ethanenitrile,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.591g/mol |
| Monoisotopic Mass | 219.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number