| CAS Number | 923022-43-9 |
| Catalog Number | AG01DWUS(AGN-PC-0D4UP3) |
| Chemical Name | 7-Bromo-6-fluoro-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 7-bromo-6-fluoro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H5BrFNO/c10-7-4-6-5(3-8(7)11)1-2-12-9(6)13/h1-4H,(H,12,13) |
| InChI Key | QLALLSRWJRAJOS-UHFFFAOYSA-N |
| MDL Number | MFCD27933028 |
| Molecular Formula | C9H5BrFNO |
| Molecular Weight | 242.0445 |
| SMILES | O=C1NC=CC2=C1C=C(Br)C(F)=C2 |
| Synonyms | 923022-43-9,
7-Bromo-6-fluoroisoquinolin-1(2H)-one,
1(2H)-Isoquinolinone, 7-bromo-6-fluoro-,
7-Bromo-6-fluoro-2H-isoquinolin-1-one,
SCHEMBL2337851,
CTK3H0332,
DTXSID00733083,
QLALLSRWJRAJOS-UHFFFAOYSA-N,
MFCD27933028,
AKOS030617778,
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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