| CAS Number | 1142193-11-0 |
| Catalog Number | AG0093HO(AGN-PC-0WR1MW) |
| Chemical Name | 7,8-Difluoro-4-hydroxyquinoline |
| IUPAC Name | 7,8-difluoro-1H-quinolin-4-one |
| InChI | InChI=1S/C9H5F2NO/c10-6-2-1-5-7(13)3-4-12-9(5)8(6)11/h1-4H,(H,12,13) |
| InChI Key | FCMOETXRLDHWLW-UHFFFAOYSA-N |
| MDL Number | MFCD11870786 |
| Molecular Formula | C9H5F2NO |
| Molecular Weight | 181.1389 |
| SMILES | OC1=CC=NC2=C(F)C(F)=CC=C12 |
| Synonyms | 7,8-Difluoro-4-hydroxyquinoline,
7,8-Difluoroquinolin-4-ol,
1142193-11-0,
DTXSID60653758,
7,8-Difluoroquinolin-4(1H)-one,
MFCD11870786,
ZINC32099934,
AKOS010308485,
AKOS027295189,
DB-060597,
FT-0747612,
T6169,
7,8-Difluoro-4-hydroxyquinoline, AldrichCPR,
Z2466331685,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.142g/mol |
| Monoisotopic Mass | 181.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number