| CAS Number | 115486-12-9 |
| Catalog Number | AG00HD08(AGN-PC-0WQXG0) |
| Chemical Name | 2-Bromo-7-methoxy-4-methylquinoline |
| IUPAC Name | 2-bromo-7-methoxy-4-methylquinoline |
| InChI | InChI=1S/C11H10BrNO/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3 |
| InChI Key | PUMJMPPJYQXQRV-UHFFFAOYSA-N |
| MDL Number | MFCD21647777 |
| Molecular Formula | C11H10BrNO |
| Molecular Weight | 252.1072 |
| SMILES | COc1ccc2c(c1)nc(cc2C)Br |
| Synonyms | 2-Bromo-7-methoxy-4-methylquinoline,
115486-12-9,
MFCD21647777,
ZINC82788564,
FCH1566444,
OR309389,
T6174,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.111g/mol |
| Monoisotopic Mass | 250.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number