| CAS Number | 730951-46-9 |
| Catalog Number | AG019IAW |
| Chemical Name | 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetonitrile |
| IUPAC Name | 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetonitrile |
| InChI | InChI=1S/C11H6F2N2S/c12-7-1-2-9(13)8(5-7)10-6-16-11(15-10)3-4-14/h1-2,5-6H,3H2 |
| InChI Key | XRMYMZPVRXRFAY-UHFFFAOYSA-N |
| MDL Number | MFCD04621707 |
| Molecular Formula | C11H6F2N2S |
| Molecular Weight | 236.2405 |
| SMILES | FC1=CC(C2N=C(CC#N)SC=2)=C(F)C=C1 |
| Synonyms | 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetonitrile,
730951-46-9,
[4-(2,5-Difluoro-phenyl)-thiazol-2-yl]-acetonitrile,
EN300-06199,
AC1Q4MHJ,
AC1M69RD,
CTK8F2478,
ZINC3278562,
AKOS000117074,
MCULE-8596308342,
NE52214,
BC4120181,
Z48849003,
ZINC03278562,
CID2394062,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.24g/mol |
| Monoisotopic Mass | 236.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number