| CAS Number | 730951-49-2 |
| Catalog Number | AG019ICL |
| Chemical Name | 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile |
| IUPAC Name | 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile |
| InChI | InChI=1S/C11H6Cl2N2S/c12-7-1-2-8(9(13)5-7)10-6-16-11(15-10)3-4-14/h1-2,5-6H,3H2 |
| InChI Key | CFZAJQGVLUIXOI-UHFFFAOYSA-N |
| MDL Number | MFCD04621712 |
| Molecular Formula | C11H6Cl2N2S |
| Molecular Weight | 269.1497 |
| SMILES | ClC1=CC(Cl)=C(C2N=C(CC#N)SC=2)C=C1 |
| Synonyms | 2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile,
730951-49-2,
[4-(2,4-Dichloro-phenyl)-thiazol-2-yl]-acetonitrile,
EN300-06352,
AC1M6B6R,
AC1Q3JE8,
CTK8F2477,
ZINC3279383,
AKOS000206631,
MCULE-7684296535,
NE38148,
BC4120183,
Z48849059,
ZINC03279383,
CID2394848,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.143g/mol |
| Monoisotopic Mass | 267.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number