| CAS Number | 1197837-00-5 |
| Catalog Number | AG019WYN(AGN-PC-0WOC2M) |
| Chemical Name | 2-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]acetonitrile hydrobromide |
| IUPAC Name | 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetonitrile;hydrobromide |
| InChI | InChI=1S/C10H7N3S.BrH/c11-4-1-10-13-9(7-14-10)8-2-5-12-6-3-8;/h2-3,5-7H,1H2;1H |
| InChI Key | VSHKSFZUNWBHKP-UHFFFAOYSA-N |
| MDL Number | MFCD13195898 |
| Molecular Formula | C10H8BrN3S |
| Molecular Weight | 282.1596 |
| SMILES | Br.N#CCC1SC=C(C2=CC=NC=C2)N=1 |
| Synonyms | 2-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetonitrile hydrobromide,
1197837-00-5,
EN300-53540,
AC1Q23IM,
CTK7C9910,
AKOS026729960,
MCULE-6168543871,
NE27283,
Z810541804,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.159g/mol |
| Monoisotopic Mass | 280.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number