| CAS Number | 1242260-48-5 |
| Catalog Number | AG009W1D(AGN-PC-0WAKF6) |
| Chemical Name | 4-Bromo-6-fluoroquinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 4-bromo-6-fluoroquinoline-3-carboxylate |
| InChI | InChI=1S/C12H9BrFNO2/c1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h3-6H,2H2,1H3 |
| InChI Key | LTRNAUFYDOWTMH-UHFFFAOYSA-N |
| MDL Number | MFCD16987487 |
| Molecular Formula | C12H9BrFNO2 |
| Molecular Weight | 298.1078 |
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1Br)F |
| Synonyms | 1242260-48-5,
4-Bromo-6-fluoroquinoline-3-carboxylic acid ethyl ester,
ethyl 4-bromo-6-fluoroquinoline-3-carboxylate,
C12H9BrFNO2,
DTXSID10677909,
MFCD16987487,
ZINC47913100,
PC404612,
T6332,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.111g/mol |
| Monoisotopic Mass | 296.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number