7-Fluorochromone-3-carboxaldehyde - CAS 69155-78-8
Catalog: |
BB033713 |
Product Name: |
7-Fluorochromone-3-carboxaldehyde |
CAS: |
69155-78-8 |
Synonyms: |
7-fluoro-4-oxochromene-3-carbaldehyde |
IUPAC Name: | 7-fluoro-4-oxochromene-3-carbaldehyde |
Description: | 7-Fluorochromone-3-carboxaldehyde (CAS# 69155-78-8) is a useful research chemical. |
Molecular Weight: | 192.14 |
Molecular Formula: | C10H5FO3 |
Canonical SMILES: | C1=CC2=C(C=C1F)OC=C(C2=O)C=O |
InChI: | InChI=1S/C10H5FO3/c11-7-1-2-8-9(3-7)14-5-6(4-12)10(8)13/h1-5H |
InChI Key: | QSWSDWVNEPDHIG-UHFFFAOYSA-N |
MDL: | MFCD12027720 |
LogP: | 1.74460 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214136-A | Compound containing spiro cyclopentadiene-2-oxindole and preparation method and application thereof | 20210518 |
CN-105820165-B | Alpha-carboline compound, preparation method and application thereof | 20150105 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
PMID | Publication Date | Title | Journal |
22259541 | 20120101 | 9-(7-Fluoro-4-oxo-4H-chromen-3-yl)-3,3,6,6-tetra-methyl-2,3,4,5,6,7,8,9-octa-hydro-1H-xanthene-1,8-dione | Acta crystallographica. Section E, Structure reports online |
21754060 | 20110401 | 7-Fluoro-4-oxochromene-3-carbaldehyde | Acta crystallographica. Section E, Structure reports online |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.02227218 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.02227218 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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