| CAS Number | 1065093-11-9 |
| Catalog Number | AG0093MI |
| Chemical Name | 8-Bromo-4-Chloro-5-Fluoroquinoline |
| IUPAC Name | 8-bromo-4-chloro-5-fluoroquinoline |
| InChI | InChI=1S/C9H4BrClFN/c10-5-1-2-7(12)8-6(11)3-4-13-9(5)8/h1-4H |
| InChI Key | CTIBNMKVPOJVFH-UHFFFAOYSA-N |
| MDL Number | MFCD15527289 |
| Molecular Formula | C9H4BrClFN |
| Molecular Weight | 260.4902 |
| SMILES | C1=C(C2=NC=CC(=C2C(=C1)F)Cl)Br |
| Synonyms | 1065093-11-9,
8-Bromo-4-chloro-5-fluoro-quinoline,
8-BROMO-4-CHLORO-5-FLUOROQUINOLINE,
ZINC102006361,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.49g/mol |
| Monoisotopic Mass | 258.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number