| CAS Number | 929975-32-6 |
| Catalog Number | AG019KG6(AGN-PC-0WOUOF) |
| Chemical Name | 4,4,4-Trifluoro-3-(2-furyl)-3-hydroxybutanenitrile |
| IUPAC Name | 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanenitrile |
| InChI | InChI=1S/C8H6F3NO2/c9-8(10,11)7(13,3-4-12)6-2-1-5-14-6/h1-2,5,13H,3H2 |
| InChI Key | CJGDOTCKAOBEIY-UHFFFAOYSA-N |
| MDL Number | MFCD09040419 |
| Molecular Formula | C8H6F3NO2 |
| Molecular Weight | 205.1339 |
| SMILES | OC(C(F)(F)F)(C1OC=CC=1)CC#N |
| Synonyms | 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanenitrile,
929975-32-6,
4,4,4-trifluoro-3-(2-furyl)-3-hydroxybutanenitrile,
EN300-26823,
AC1Q777X,
CTK7C9553,
AKOS026743956,
FCH1319094,
MCULE-4095304945,
NE28273,
Z235336611,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.136g/mol |
| Monoisotopic Mass | 205.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number