| CAS Number | 1559067-57-0 |
| Catalog Number | AG00J2QS(AGN-PC-0WB639) |
| Chemical Name | 4-bromo-1-(difluoromethyl)-1H-pyrrole-2-carbonitrile |
| IUPAC Name | 4-bromo-1-(difluoromethyl)pyrrole-2-carbonitrile |
| InChI | InChI=1S/C6H3BrF2N2/c7-4-1-5(2-10)11(3-4)6(8)9/h1,3,6H |
| InChI Key | MRJMFZOFUDEWBK-UHFFFAOYSA-N |
| MDL Number | MFCD26940361 |
| Molecular Formula | C6H3BrF2N2 |
| Molecular Weight | 221.0022 |
| SMILES | N1(C(F)F)C=C(C=C1C#N)Br |
| Synonyms | 4-bromo-1-(difluoromethyl)-1H-pyrrole-2-carbonitrile,
1559067-57-0,
ZX-CM010439,
MFCD26940361,
STL412434,
ZINC95496192,
AKOS025255443,
FCH2487423,
MCULE-2093772911,
A-6937,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.005g/mol |
| Monoisotopic Mass | 219.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number