| CAS Number | 1155915-53-9 |
| Catalog Number | AG01AC0L |
| Chemical Name | 2-hydroxy-2-[2-(trifluoromethoxy)phenyl]acetonitrile |
| IUPAC Name | 2-hydroxy-2-[2-(trifluoromethoxy)phenyl]acetonitrile |
| InChI | InChI=1S/C9H6F3NO2/c10-9(11,12)15-8-4-2-1-3-6(8)7(14)5-13/h1-4,7,14H |
| InChI Key | XHTRAWISZBOKQO-UHFFFAOYSA-N |
| MDL Number | MFCD12169351 |
| Molecular Formula | C9H6F3NO2 |
| Molecular Weight | 217.1446 |
| SMILES | OC(C1=C(OC(F)(F)F)C=CC=C1)C#N |
| Synonyms | 2-hydroxy-2-[2-(trifluoromethoxy)phenyl]acetonitrile,
1155915-53-9,
SCHEMBL1199903,
NE26192,
EN300-137224,
|
| Complexity | 258 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.147g/mol |
| Monoisotopic Mass | 217.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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