| CAS Number | 1803611-66-6 |
| Catalog Number | AG01B7Y8 |
| Chemical Name | 5-bromo-7-chloro-1,2,3,4-tetrahydroquinolin-2-one |
| IUPAC Name | 5-bromo-7-chloro-3,4-dihydro-1H-quinolin-2-one |
| InChI | InChI=1S/C9H7BrClNO/c10-7-3-5(11)4-8-6(7)1-2-9(13)12-8/h3-4H,1-2H2,(H,12,13) |
| InChI Key | MYUMFSKXEHZBTN-UHFFFAOYSA-N |
| MDL Number | MFCD28246371 |
| Molecular Formula | C9H7BrClNO |
| Molecular Weight | 260.5150 |
| SMILES | BrC1=C2CCC(NC2=CC(=C1)Cl)=O |
| Synonyms | 5-bromo-7-chloro-1,2,3,4-tetrahydroquinolin-2-one,
1803611-66-6,
SCHEMBL18513451,
AKOS033714901,
ZINC170619910,
Z1983079360,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.515g/mol |
| Monoisotopic Mass | 258.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number