| CAS Number | 2126161-73-5 |
| Catalog Number | AG01EHWZ |
| Chemical Name | 4,4,5,5,6,6,7,7-octafluoro-octahydro-1H-isoindole hydrochloride |
| IUPAC Name | 4,4,5,5,6,6,7,7-octafluoro-2,3,3a,7a-tetrahydro-1H-isoindole;hydrochloride |
| InChI | InChI=1S/C8H7F8N.ClH/c9-5(10)3-1-17-2-4(3)6(11,12)8(15,16)7(5,13)14;/h3-4,17H,1-2H2;1H |
| InChI Key | FDVAWIXCTAXODR-UHFFFAOYSA-N |
| MDL Number | MFCD31381448 |
| Molecular Formula | C8H8ClF8N |
| Molecular Weight | 305.5960 |
| SMILES | Cl.FC1(C(F)(F)C(F)(F)C(F)(F)C2C1CNC2)F |
| Synonyms | 4,4,5,5,6,6,7,7-octafluoro-octahydro-1H-isoindole hydrochloride,
2126161-73-5,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.596g/mol |
| Monoisotopic Mass | 305.022g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number