| CAS Number | 1021143-01-0 |
| Catalog Number | AG019T14 |
| Chemical Name | 2-(2-bromo-4-methylphenoxy)pyridine-3-carbonitrile |
| IUPAC Name | 2-(2-bromo-4-methylphenoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C13H9BrN2O/c1-9-4-5-12(11(14)7-9)17-13-10(8-15)3-2-6-16-13/h2-7H,1H3 |
| InChI Key | OSUWSVFZDVOKPM-UHFFFAOYSA-N |
| MDL Number | MFCD11156083 |
| Molecular Formula | C13H9BrN2O |
| Molecular Weight | 289.1274 |
| SMILES | CC1=CC(Br)=C(OC2=C(C#N)C=CC=N2)C=C1 |
| Synonyms | 2-(2-bromo-4-methylphenoxy)pyridine-3-carbonitrile,
1021143-01-0,
ZX-AH011269,
ZINC20077852,
AKOS000262228,
MCULE-5536477663,
NE42707,
BC4129639,
EN300-95763,
Z86384096,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.132g/mol |
| Monoisotopic Mass | 287.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number