| CAS Number | 111971-30-3 |
| Catalog Number | AG01BCAW(AGN-PC-007H3T) |
| Chemical Name | 2-Bromo-4-(4-methylphenyl)pyridine |
| IUPAC Name | 2-bromo-4-(4-methylphenyl)pyridine |
| InChI | InChI=1S/C12H10BrN/c1-9-2-4-10(5-3-9)11-6-7-14-12(13)8-11/h2-8H,1H3 |
| InChI Key | BIBUKDIQNQELIX-UHFFFAOYSA-N |
| MDL Number | MFCD11869542 |
| Molecular Formula | C12H10BrN |
| Molecular Weight | 248.1185 |
| SMILES | CC1=CC=C(C2=CC(Br)=NC=C2)C=C1 |
| Synonyms | 2-bromo-4-(4-methylphenyl)pyridine,
111971-30-3,
ZINC44120382,
AKOS015945538,
CID11357079,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.123g/mol |
| Monoisotopic Mass | 247g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number