| CAS Number | 67643-41-8 |
| Catalog Number | AG01A5UD(AGN-PC-0WOIX7) |
| Chemical Name | 6-Bromo-4-hydroxy-8-methylquinoline-3-carbonitrile |
| IUPAC Name | 6-bromo-8-methyl-4-oxo-1H-quinoline-3-carbonitrile |
| InChI | InChI=1S/C11H7BrN2O/c1-6-2-8(12)3-9-10(6)14-5-7(4-13)11(9)15/h2-3,5H,1H3,(H,14,15) |
| InChI Key | OZUKMNIJUXVVKR-UHFFFAOYSA-N |
| MDL Number | MFCD13181151 |
| Molecular Formula | C11H7BrN2O |
| Molecular Weight | 263.0901 |
| SMILES | CC1=C2C(C(=C(C=N2)C#N)O)=CC(Br)=C1 |
| Synonyms | 6-bromo-4-hydroxy-8-methylquinoline-3-carbonitrile,
67643-41-8,
6-BROMO-4-HYDROXY-8-METHYL-3-QUINOLINECARBONITRILE,
AKOS000175205,
AKOS016042650,
ZINC100280537,
MCULE-8219983968,
NE19953,
BB0263813,
EN300-130257,
3-Quinolinecarbonitrile, 6-bromo-4-hydroxy-8-methyl-,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.094g/mol |
| Monoisotopic Mass | 261.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number