| CAS Number | 1245898-81-0 |
| Catalog Number | AG01B5AI |
| Chemical Name | 3-Bromo-2-(tert-butoxy)pyridine |
| IUPAC Name | 3-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine |
| InChI | InChI=1S/C9H12BrNO/c1-9(2,3)12-8-7(10)5-4-6-11-8/h4-6H,1-3H3 |
| InChI Key | GTJSSGQXULGMLK-UHFFFAOYSA-N |
| MDL Number | MFCD14651779 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | CC(OC1=NC=CC=C1Br)(C)C |
| Synonyms | 3-bromo-2-(tert-butoxy)pyridine,
1245898-81-0,
3-bromo-2-tert-butoxypyridine,
SCHEMBL482170,
GTJSSGQXULGMLK-UHFFFAOYSA-N,
ZINC42376432,
AKOS010631413,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number