| CAS Number | 1093951-75-7 |
| Catalog Number | AG00HBGH(AGN-PC-0WRA59) |
| Chemical Name | 3-Bromo-2,5-dimethoxypyridine |
| IUPAC Name | 3-bromo-2,5-dimethoxypyridine |
| InChI | InChI=1S/C7H8BrNO2/c1-10-5-3-6(8)7(11-2)9-4-5/h3-4H,1-2H3 |
| InChI Key | KJGCCWVOTAHJFU-UHFFFAOYSA-N |
| MDL Number | MFCD26398166 |
| Molecular Formula | C7H8BrNO2 |
| Molecular Weight | 218.0479 |
| SMILES | COc1cnc(c(c1)Br)OC |
| Synonyms | 3-bromo-2,5-dimethoxypyridine,
1093951-75-7,
SCHEMBL2655524,
KJGCCWVOTAHJFU-UHFFFAOYSA-N,
Pyridine, 3-bromo-2,5-dimethoxy-,
ZINC95495786,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.05g/mol |
| Monoisotopic Mass | 216.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number