| CAS Number | 952182-87-5 |
| Catalog Number | AG00IRL4(AGN-PC-0WAXSK) |
| Chemical Name | 2-(4-(Trifluoromethoxy)phenoxy)acetonitrile |
| IUPAC Name | 2-[4-(trifluoromethoxy)phenoxy]acetonitrile |
| InChI | InChI=1S/C9H6F3NO2/c10-9(11,12)15-8-3-1-7(2-4-8)14-6-5-13/h1-4H,6H2 |
| InChI Key | XTQXYXSBPWLFPL-UHFFFAOYSA-N |
| MDL Number | MFCD09152763 |
| Molecular Formula | C9H6F3NO2 |
| Molecular Weight | 217.1446 |
| SMILES | FC(F)(F)OC1(=CC=C(OCC#N)C=C1) |
| Synonyms | 2-[4-(trifluoromethoxy)phenoxy]acetonitrile,
952182-87-5,
2-(4-(Trifluoromethoxy)phenoxy)acetonitrile,
CTK7D0648,
trifluoromethoxyphenoxyacetonitrile,
KS-000021WZ,
MFCD09152763,
SBB095365,
ZINC12336412,
AKOS005071485,
AB-0604,
MCULE-9103703497,
RP12553,
AJ-60856,
TR-064134,
2-[4-(trifluoromethoxy)phenoxy]ethanenitrile,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.147g/mol |
| Monoisotopic Mass | 217.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number