| CAS Number | 1227599-90-7 |
| Catalog Number | AG009VKV |
| Chemical Name | (3-Bromo-5-methoxypyridin-4-yl)methanol |
| IUPAC Name | (3-bromo-5-methoxypyridin-4-yl)methanol |
| InChI | InChI=1S/C7H8BrNO2/c1-11-7-3-9-2-6(8)5(7)4-10/h2-3,10H,4H2,1H3 |
| InChI Key | ASBWPXIBCBDDBR-UHFFFAOYSA-N |
| MDL Number | MFCD16607016 |
| Molecular Formula | C7H8BrNO2 |
| Molecular Weight | 218.0479 |
| SMILES | COC1=C(CO)C(Br)=CN=C1 |
| Synonyms | (3-bromo-5-methoxypyridin-4-yl)methanol,
1227599-90-7,
(3-Bromo-5-methoxy-pyridin-4-yl)-methanol,
3-Bromo-5-methoxypyridine-4-methanol,
ZINC215570212,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.05g/mol |
| Monoisotopic Mass | 216.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number