| CAS Number | 142781-92-8 |
| Catalog Number | AG006XIH(AGN-PC-003EGX) |
| Chemical Name | 3-Bromo-4-chloro-8-methoxyquinoline |
| IUPAC Name | 3-bromo-4-chloro-8-methoxyquinoline |
| InChI | InChI=1S/C10H7BrClNO/c1-14-8-4-2-3-6-9(12)7(11)5-13-10(6)8/h2-5H,1H3 |
| InChI Key | KNCYGWUHMJIGOQ-UHFFFAOYSA-N |
| MDL Number | MFCD13192954 |
| Molecular Formula | C10H7BrClNO |
| Molecular Weight | 272.5257 |
| SMILES | COc1cccc2c1ncc(c2Cl)Br |
| Synonyms | 3-Bromo-4-chloro-8-methoxyquinoline,
142781-92-8,
CTK8E4395,
DTXSID50567138,
MFCD13192954,
ZINC41702288,
AKOS027385127,
Quinoline, 3-bromo-4-chloro-8-methoxy-,
RT-008605,
T6389,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.526g/mol |
| Monoisotopic Mass | 270.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number