| CAS Number | 90731-98-9 |
| Catalog Number | AG01BCA6(AGN-PC-00L7RW) |
| Chemical Name | 3-Bromo-4-tert-butylpyridine |
| IUPAC Name | 3-bromo-4-tert-butylpyridine |
| InChI | InChI=1S/C9H12BrN/c1-9(2,3)7-4-5-11-6-8(7)10/h4-6H,1-3H3 |
| InChI Key | BQAWPKLIAUMEBD-UHFFFAOYSA-N |
| MDL Number | MFCD22379690 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | CC(C1=C(Br)C=NC=C1)(C)C |
| Synonyms | 3-bromo-4-tert-butylpyridine,
90731-98-9,
SCHEMBL7253767,
ZINC96135147,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.106g/mol |
| Monoisotopic Mass | 213.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number