| CAS Number | 1204811-42-6 |
| Catalog Number | AG009362(AGN-PC-0WR1UF) |
| Chemical Name | 3-Bromo-4-hydroxy-8-methoxyquinoline |
| IUPAC Name | 3-bromo-8-methoxy-1H-quinolin-4-one |
| InChI | InChI=1S/C10H8BrNO2/c1-14-8-4-2-3-6-9(8)12-5-7(11)10(6)13/h2-5H,1H3,(H,12,13) |
| InChI Key | JJQYYRCPHOZXKS-UHFFFAOYSA-N |
| MDL Number | MFCD13192861 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.0800 |
| SMILES | COc1cccc2c1ncc(c2O)Br |
| Synonyms | 1204811-42-6,
3-Bromo-4-hydroxy-8-methoxyquinoline,
3-Bromo-8-methoxyquinolin-4-ol,
3-Bromo-8-methoxyquinolin-4(1H)-one,
DTXSID40671076,
MFCD13192861,
ZINC41701981,
OR309322,
T6286,
3-Bromo-4-hydroxy-8-methoxyquinoline, AldrichCPR,
3-BROMO-8-METHOXY-1H-QUINOLIN-4-ONE,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.083g/mol |
| Monoisotopic Mass | 252.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number