| CAS Number | 881423-31-0 |
| Catalog Number | AG00GVP3(AGN-PC-08YY86) |
| Chemical Name | 4-(4-Bromophenyl)-2-methylnicotinonitrile |
| IUPAC Name | 4-(4-bromophenyl)-2-methylpyridine-3-carbonitrile |
| InChI | InChI=1S/C13H9BrN2/c1-9-13(8-15)12(6-7-16-9)10-2-4-11(14)5-3-10/h2-7H,1H3 |
| InChI Key | IGZDAZIQGARTNU-UHFFFAOYSA-N |
| MDL Number | MFCD14702880 |
| Molecular Formula | C13H9BrN2 |
| Molecular Weight | 273.1280 |
| SMILES | C1(=C(C)N=CC=C1C1C=CC(=CC=1)Br)C#N |
| Synonyms | 881423-31-0,
4-(4-BROMOPHENYL)-2-METHYLNICOTINONITRILE,
DTXSID20679757,
ZX-CM008783,
MFCD14702880,
ZINC42384244,
AKOS022185625,
MCULE-6669404050,
AJ-104362,
Y-7517,
4-(4-bromophenyl)-2-methylnicotinonitrile(SALTDATA,
4-(4-Bromophenyl)-2-methylpyridine-3-carbonitrile,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.133g/mol |
| Monoisotopic Mass | 271.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number