| CAS Number | 106331-72-0 |
| Catalog Number | AG01FNXI(AGN-PC-03XZPN) |
| Chemical Name | 3-bromo-2,5,6-trimethoxyPyridine |
| IUPAC Name | 3-bromo-2,5,6-trimethoxypyridine |
| InChI | InChI=1S/C8H10BrNO3/c1-11-6-4-5(9)7(12-2)10-8(6)13-3/h4H,1-3H3 |
| InChI Key | WAPQUZSDSNSMDQ-UHFFFAOYSA-N |
| MDL Number | MFCD28127521 |
| Molecular Formula | C8H10BrNO3 |
| Molecular Weight | 248.0739 |
| SMILES | COC1=C(OC)C=C(Br)C(OC)=N1 |
| Synonyms | 106331-72-0,
3-bromo-2,5,6-trimethoxyPyridine,
SCHEMBL9828094,
AS-60832,
DA-20577,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.98441g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.07g/mol |
| Monoisotopic Mass | 246.98441g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number