| CAS Number | 886763-09-3 |
| Catalog Number | AG00IFBT(AGN-PC-0WAOX2) |
| Chemical Name | 2-methyl-4-(trifluoromethoxy)phenylacetonitrile |
| IUPAC Name | 2-[2-methyl-4-(trifluoromethoxy)phenyl]acetonitrile |
| InChI | InChI=1S/C10H8F3NO/c1-7-6-9(15-10(11,12)13)3-2-8(7)4-5-14/h2-3,6H,4H2,1H3 |
| InChI Key | YQTMGMGJQACTFN-UHFFFAOYSA-N |
| MDL Number | MFCD07368719 |
| Molecular Formula | C10H8F3NO |
| Molecular Weight | 215.1718 |
| SMILES | FC(OC1C=CC(CC#N)=C(C)C=1)(F)F |
| Synonyms | 2-methyl-4-(trifluoromethoxy)phenylacetonitrile,
886763-09-3,
2-[2-methyl-4-(trifluoromethoxy)phenyl]acetonitrile,
MFCD07368719,
2-(2-Methyl-4-(trifluoromethoxy)phenyl)acetonitrile,
AC1MD48E,
CTK7C9797,
ZX-AP008601,
PC1064,
SBB095086,
ZINC16125770,
AKOS026670686,
PS-11244,
2-[2-methyl-4-(trifluoromethoxy)phenyl]ethanenitrile,
CID2783306,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.175g/mol |
| Monoisotopic Mass | 215.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number