| CAS Number | 1193390-38-3 |
| Catalog Number | AG019WKM(AGN-PC-0WO4R4) |
| Chemical Name | 2-[1-(difluoromethyl)-1H-imidazol-2-yl]acetonitrile |
| IUPAC Name | 2-[1-(difluoromethyl)imidazol-2-yl]acetonitrile |
| InChI | InChI=1S/C6H5F2N3/c7-6(8)11-4-3-10-5(11)1-2-9/h3-4,6H,1H2 |
| InChI Key | PVARDTHPGOARRX-UHFFFAOYSA-N |
| MDL Number | MFCD12913081 |
| Molecular Formula | C6H5F2N3 |
| Molecular Weight | 157.1208 |
| SMILES | FC(N1C(CC#N)=NC=C1)F |
| Synonyms | 2-[1-(difluoromethyl)-1H-imidazol-2-yl]acetonitrile,
1193390-38-3,
AC1Q4KNY,
1H-Imidazole-2-acetonitrile, 1-(difluoromethyl)-,
CTK7C9878,
ZINC36379860,
AKOS026727635,
NE43403,
EN300-52245,
[1-(Difluoromethyl)-1H-imidazole-2-yl]acetonitrile,
Z228589624,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.124g/mol |
| Monoisotopic Mass | 157.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number