| CAS Number | 872714-52-8 |
| Catalog Number | AG00IEGK(AGN-PC-086DNA) |
| Chemical Name | 4-Bromo-6-methoxyquinoline-3-carbonitrile |
| IUPAC Name | 4-bromo-6-methoxyquinoline-3-carbonitrile |
| InChI | InChI=1S/C11H7BrN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3 |
| InChI Key | MAXSLKSGSUIZOI-UHFFFAOYSA-N |
| MDL Number | MFCD15527485 |
| Molecular Formula | C11H7BrN2O |
| Molecular Weight | 263.0901 |
| SMILES | COc1ccc2c(c1)c(Br)c(cn2)C#N |
| Synonyms | 4-Bromo-6-methoxyquinoline-3-carbonitrile,
872714-52-8,
3-Quinolinecarbonitrile, 4-bromo-6-methoxy-,
SCHEMBL3272022,
DTXSID70677849,
3801AC,
MFCD15527485,
ZINC47912998,
AKOS016010905,
OR309345,
AJ-110894,
AX8245508,
T6691,
C11H7BrN2O,
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| Complexity | 275 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.094g/mol |
| Monoisotopic Mass | 261.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number