| CAS Number | 876491-31-5 |
| Catalog Number | AG00IEPL(AGN-PC-0WR1T9) |
| Chemical Name | 4-Bromo-6-Methoxy-2-Phenylquinoline |
| IUPAC Name | 4-bromo-6-methoxy-2-phenylquinoline |
| InChI | InChI=1S/C16H12BrNO/c1-19-12-7-8-15-13(9-12)14(17)10-16(18-15)11-5-3-2-4-6-11/h2-10H,1H3 |
| InChI Key | SQYGESKRCNXFSQ-UHFFFAOYSA-N |
| MDL Number | MFCD13192938 |
| Molecular Formula | C16H12BrNO |
| Molecular Weight | 314.1766 |
| SMILES | COc1ccc2c(c1)c(Br)cc(n2)c1ccccc1 |
| Synonyms | 4-Bromo-6-methoxy-2-phenylquinoline,
876491-31-5,
DTXSID20671150,
MFCD13192938,
ZINC41702243,
AKOS027385357,
OR309327,
T6701,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.182g/mol |
| Monoisotopic Mass | 313.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number