| CAS Number | 143812-66-2 |
| Catalog Number | AG01C22M(AGN-PC-0O2Q3M) |
| Chemical Name | 5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile |
| IUPAC Name | 5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile |
| InChI | InChI=1S/C6H3F3N2/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2,11H |
| InChI Key | QBNVZLASKFCXTH-UHFFFAOYSA-N |
| MDL Number | MFCD24591343 |
| Molecular Formula | C6H3F3N2 |
| Molecular Weight | 160.0966 |
| SMILES | FC(C1NC(C#N)=CC=1)(F)F |
| Synonyms | 5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile,
143812-66-2,
1H-Pyrrole-2-carbonitrile, 5-(trifluoromethyl)-,
AKOS033821575,
ZINC213187742,
Z2240999284,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.099g/mol |
| Monoisotopic Mass | 160.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number