8-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester - CAS 35975-57-6
Catalog: |
BB022818 |
Product Name: |
8-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester |
CAS: |
35975-57-6 |
Synonyms: |
ethyl 8-bromo-4-oxo-1H-quinoline-3-carboxylate |
IUPAC Name: | ethyl 8-bromo-4-oxo-1H-quinoline-3-carboxylate |
Description: | 8-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester (CAS# 35975-57-6) is a useful research chemical. |
Molecular Weight: | 296.12 |
Molecular Formula: | C12H10BrNO3 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2Br |
InChI: | InChI=1S/C12H10BrNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15) |
InChI Key: | XDDQBYKFJZYKPE-UHFFFAOYSA-N |
Boiling Point: | 392 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.555 g/cm3 |
LogP: | 2.87960 |
Publication Number | Title | Priority Date |
US-2020385398-A1 | New bicyclic derivatives | 20190607 |
WO-2020247747-A1 | Bicyclic derivatives for treating endoparasites | 20190607 |
CN-110003171-B | Small molecule reversible BTK inhibitor for treating rheumatoid arthritis | 20190412 |
WO-2019215182-A1 | New quinoline derivatives | 20180509 |
AU-2019266511-A1 | New quinoline derivatives | 20180509 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.98441 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.98441 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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