| CAS Number | 1020087-32-4 |
| Catalog Number | AG01BTOB |
| Chemical Name | 6,7,8-trifluoro-1,4-dihydroquinolin-4-one |
| IUPAC Name | 6,7,8-trifluoro-1H-quinolin-4-one |
| InChI | InChI=1S/C9H4F3NO/c10-5-3-4-6(14)1-2-13-9(4)8(12)7(5)11/h1-3H,(H,13,14) |
| InChI Key | KEOLWQHYWNESLY-UHFFFAOYSA-N |
| MDL Number | MFCD12192813 |
| Molecular Formula | C9H4F3NO |
| Molecular Weight | 199.1294 |
| SMILES | FC1=C(F)C(F)=C2C(C(C=CN2)=O)=C1 |
| Synonyms | 6,7,8-trifluoro-1,4-dihydroquinolin-4-one,
1020087-32-4,
SCHEMBL1886773,
ZINC35731139,
AKOS009580234,
Z2756332553,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.132g/mol |
| Monoisotopic Mass | 199.024g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number