| CAS Number | 1215767-80-8 |
| Catalog Number | AG00HGAH(AGN-PC-0WOLMW) |
| Chemical Name | 6-Bromo-8-fluoroquinolin-2(1H)-one |
| IUPAC Name | 6-bromo-8-fluoro-1H-quinolin-2-one |
| InChI | InChI=1S/C9H5BrFNO/c10-6-3-5-1-2-8(13)12-9(5)7(11)4-6/h1-4H,(H,12,13) |
| InChI Key | XXUWPCHGTDYTBV-UHFFFAOYSA-N |
| MDL Number | MFCD19678311 |
| Molecular Formula | C9H5BrFNO |
| Molecular Weight | 242.0445 |
| SMILES | BrC=1C=C2C=CC(NC2=C(C1)F)=O |
| Synonyms | 6-Bromo-8-fluoroquinolin-2(1H)-one,
1215767-80-8,
6-bromo-8-fluoroquinolone,
SCHEMBL2171366,
XXUWPCHGTDYTBV-UHFFFAOYSA-N,
ZINC70054929,
6-bromo-8-fluoro-1H-quinolin-2-one,
AKOS013530969,
SY036033,
MFCD19678311 (95%),
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.047g/mol |
| Monoisotopic Mass | 240.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number