Methyl 6-fluorochromone-2-carboxylate - CAS 116543-91-0
Catalog: |
BB003763 |
Product Name: |
Methyl 6-fluorochromone-2-carboxylate |
CAS: |
116543-91-0 |
Synonyms: |
methyl 6-fluoro-4-oxochromene-2-carboxylate |
IUPAC Name: | methyl 6-fluoro-4-oxochromene-2-carboxylate |
Description: | Methyl 6-fluorochromone-2-carboxylate (CAS# 116543-91-0) is a useful research chemical. |
Molecular Weight: | 222.17 |
Molecular Formula: | C11H7FO4 |
Canonical SMILES: | COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)F |
InChI: | InChI=1S/C11H7FO4/c1-15-11(14)10-5-8(13)7-4-6(12)2-3-9(7)16-10/h2-5H,1H3 |
InChI Key: | IWYHARNYXQFPOB-UHFFFAOYSA-N |
Boiling Point: | 320.9 °C at 760 mmHg |
Purity: | 95 % |
LogP: | 1.71870 |
Publication Number | Title | Priority Date |
WO-2021125412-A1 | Defect-suppressed metal halide perovskite luminescent material, and light-emitting diode comprising same | 20191216 |
WO-2020130592-A1 | Metal halide perovskite light emitting device and method for manufacturing same | 20181217 |
EP-0331078-A2 | Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof | 19880229 |
JP-2868183-B2 | Process for producing optically active 4-oxo-1-benzopyran-2-carboxylic acid derivative, intermediate for synthesis thereof, and process for producing the intermediate | 19880229 |
US-5171865-A | Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof | 19880229 |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.03283686 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.03283686 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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