| CAS Number | 1019016-22-8 |
| Catalog Number | AG01DHEB(AGN-PC-0WNNN7) |
| Chemical Name | 4-Quinolinol, 6-bromo-8-fluoro- |
| IUPAC Name | 6-bromo-8-fluoro-1H-quinolin-4-one |
| InChI | InChI=1S/C9H5BrFNO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13) |
| InChI Key | WDEWJCNNJOEGHB-UHFFFAOYSA-N |
| MDL Number | MFCD09861332 |
| Molecular Formula | C9H5BrFNO |
| Molecular Weight | 242.0445 |
| SMILES | Fc1c2c(cc(c1)Br)c(O)ccn2 |
| Synonyms | 6-bromo-8-fluoroquinolin-4-ol,
1019016-22-8,
6-bromo-8-fluoro-1,4-dihydroquinolin-4-one,
6-bromo-8-fluoro-1H-quinolin-4-one,
6-Bromo-8-fluoroquinolin-4(1H)-one,
ZINC35731144,
AKOS005141836,
AKOS009580542,
MCULE-8191680283,
NE21932,
AS-62070,
CS-0060286,
ST51070823,
EN300-64399,
Z1245635855,
AC1Q4LI2,
6-Bromo-8-fluoro-quinolin-4-ol,
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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 | 240.95385g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.04g/mol |
| Monoisotopic Mass | 240.95385g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number