| CAS Number | 1256825-24-7 |
| Catalog Number | AG01AD5F(AGN-PC-0WOVEO) |
| Chemical Name | 5-bromo-3-tert-butyl-2-methoxypyridine |
| IUPAC Name | 5-bromo-3-tert-butyl-2-methoxypyridine |
| InChI | InChI=1S/C10H14BrNO/c1-10(2,3)8-5-7(11)6-12-9(8)13-4/h5-6H,1-4H3 |
| InChI Key | BSUAJDOHRWBXLK-UHFFFAOYSA-N |
| MDL Number | MFCD18256160 |
| Molecular Formula | C10H14BrNO |
| Molecular Weight | 244.1283 |
| SMILES | COC1=C(C(C)(C)C)C=C(Br)C=N1 |
| Synonyms | 5-bromo-3-tert-butyl-2-methoxypyridine,
1256825-24-7,
ZINC95883701,
AKOS026744453,
NE53692,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.132g/mol |
| Monoisotopic Mass | 243.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number