| CAS Number | 1508619-42-8 |
| Catalog Number | AG01E7BS |
| Chemical Name | 8-bromo-5-chloro-1,2-dihydroquinolin-2-one |
| IUPAC Name | 8-bromo-5-chloro-1H-quinolin-2-one |
| InChI | InChI=1S/C9H5BrClNO/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h1-4H,(H,12,13) |
| InChI Key | NKYYNADEZLKAAG-UHFFFAOYSA-N |
| MDL Number | MFCD24078552 |
| Molecular Formula | C9H5BrClNO |
| Molecular Weight | 258.4991 |
| SMILES | ClC1=C2C(NC(C=C2)=O)=C(Br)C=C1 |
| Synonyms | 8-bromo-5-chloro-1,2-dihydroquinolin-2-one,
1508619-42-8,
ZINC88123697,
AKOS019844618,
Z1436573018,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.499g/mol |
| Monoisotopic Mass | 256.924g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number