| CAS Number | 192051-94-8 |
| Catalog Number | AG01B291(AGN-PC-0O687F) |
| Chemical Name | 6-bromo-8-fluoro-2-methyl-1,4-dihydroquinolin-4-one |
| IUPAC Name | 6-bromo-8-fluoro-2-methyl-1H-quinolin-4-one |
| InChI | InChI=1S/C10H7BrFNO/c1-5-2-9(14)7-3-6(11)4-8(12)10(7)13-5/h2-4H,1H3,(H,13,14) |
| InChI Key | RZHABZSDMMVMSX-UHFFFAOYSA-N |
| MDL Number | MFCD12114743 |
| Molecular Formula | C10H7BrFNO |
| Molecular Weight | 256.0711 |
| SMILES | CC1NC2=C(C=C(C=C2F)Br)C(=O)C=1 |
| Synonyms | 6-bromo-8-fluoro-2-methyl-1,4-dihydroquinolin-4-one,
192051-94-8,
SCHEMBL18451103,
ZINC37412918,
AKOS009867484,
2-Methyl-6-bromo-8-fluoro-4-quinolinol,
6-bromo-8-fluoro-2-methylquinolin-4(1H)-one,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.074g/mol |
| Monoisotopic Mass | 254.97g/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