Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate - CAS 79660-46-1
Catalog: |
BB036390 |
Product Name: |
Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate |
CAS: |
79660-46-1 |
Synonyms: |
ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate |
IUPAC Name: | ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate |
Description: | Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate (CAS# 79660-46-1) is a useful research chemical. |
Molecular Weight: | 271.19 |
Molecular Formula: | C12H8F3NO3 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C(=C(C=C2C1=O)F)F)F |
InChI: | InChI=1S/C12H8F3NO3/c1-2-19-12(18)6-4-16-10-5(11(6)17)3-7(13)8(14)9(10)15/h3-4H,2H2,1H3,(H,16,17) |
InChI Key: | ONQDAESGZUODFI-UHFFFAOYSA-N |
Boiling Point: | 344.3 °C at 760 mmHg |
Density: | 1.451 g/cm3 |
Appearance: | Beige to beige-brown powder |
MDL: | MFCD00276021 |
LogP: | 2.12210 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111208221-A | Method for detecting lomefloxacin hydrochloride related substances | 20200109 |
US-2016030443-A1 | Methods and compositions for modulating regulatory t cell function | 20130314 |
AU-2008261884-A1 | Therapeutic pyrazoloquinoline derivatives | 20070608 |
EP-2166852-A1 | Therapeutic pyrazoloquinoline derivatives | 20070608 |
EP-2166852-B1 | Therapeutic pyrazoloquinoline derivatives | 20070608 |
Complexity: | 426 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.04562760 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.04562760 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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