| CAS Number | 1193388-18-9 |
| Catalog Number | AG019W8T |
| Chemical Name | 2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile |
| IUPAC Name | 2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile |
| InChI | InChI=1S/C12H12F3NO2/c1-2-17-11-7-9(5-6-16)3-4-10(11)18-8-12(13,14)15/h3-4,7H,2,5,8H2,1H3 |
| InChI Key | WBYXSJVUAPIXOE-UHFFFAOYSA-N |
| MDL Number | MFCD12912920 |
| Molecular Formula | C12H12F3NO2 |
| Molecular Weight | 259.2244 |
| SMILES | CCOC1=C(OCC(F)(F)F)C=CC(CC#N)=C1 |
| Synonyms | 2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile,
1193388-18-9,
EN300-51068,
AC1Q35WK,
CTK6G0908,
ZINC36379716,
AKOS033172145,
MCULE-3268674489,
NE27231,
Z1222283875,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.228g/mol |
| Monoisotopic Mass | 259.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number