| CAS Number | 956700-15-5 |
| Catalog Number | AG01E3R4 |
| Chemical Name | 7-bromo-4-fluoro-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 7-bromo-4-fluoro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H5BrFNO/c10-5-1-2-6-7(3-5)9(13)12-4-8(6)11/h1-4H,(H,12,13) |
| InChI Key | OCGGCFXJZYMUHC-UHFFFAOYSA-N |
| MDL Number | MFCD20526591 |
| Molecular Formula | C9H5BrFNO |
| Molecular Weight | 242.0445 |
| SMILES | O=C1NC=C(F)C2=C1C=C(Br)C=C2 |
| Synonyms | 7-bromo-4-fluoroisoquinolin-1(2H)-one,
956700-15-5,
4-Fluoro-7-bromoisoquinoline-1-ol,
AKOS027323996,
7-bromo-4-fluoro-1-hydroxy-isoquinoline,
|
| Complexity | 266 |
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number