| CAS Number | 60979-02-4 |
| Catalog Number | AG01A5C7 |
| Chemical Name | 4-(Pentafluoroethyl)aniline hydrochloride |
| IUPAC Name | 4-(1,1,2,2,2-pentafluoroethyl)aniline;hydrochloride |
| InChI | InChI=1S/C8H6F5N.ClH/c9-7(10,8(11,12)13)5-1-3-6(14)4-2-5;/h1-4H,14H2;1H |
| InChI Key | OFHOLOUZCUXTJJ-UHFFFAOYSA-N |
| MDL Number | MFCD26935948 |
| Molecular Formula | C8H7ClF5N |
| Molecular Weight | 247.5929 |
| SMILES | C1=CC(=CC=C1C(C(F)(F)F)(F)F)N.Cl |
| Synonyms | 4-(pentafluoroethyl)aniline hydrochloride,
60979-02-4,
NE45024,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.593g/mol |
| Monoisotopic Mass | 247.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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