| CAS Number | 1823891-92-4 |
| Catalog Number | AG01FHFD(AGN-PC-3H4AP2) |
| Chemical Name | 2-Fluoro-6-hydroxy-4-(trifluoromethyl)benzonitrile |
| IUPAC Name | 2-fluoro-6-hydroxy-4-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C8H3F4NO/c9-6-1-4(8(10,11)12)2-7(14)5(6)3-13/h1-2,14H |
| InChI Key | GAEWZBJUHIBWLN-UHFFFAOYSA-N |
| MDL Number | MFCD27975490 |
| Molecular Formula | C8H3F4NO |
| Molecular Weight | 205.1091 |
| SMILES | N#Cc1c(O)cc(cc1F)C(F)(F)F |
| Synonyms | 2-FLUORO-6-HYDROXY-4-(TRIFLUOROMETHYL)BENZONITRILE,
1823891-92-4,
MFCD27975490,
ZINC97447214,
FCH2511938,
PC500303,
PS-11363,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.112g/mol |
| Monoisotopic Mass | 205.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number