4-Chloro-2H-chromen-2-one - CAS 17831-88-8
Catalog: |
BB013448 |
Product Name: |
4-Chloro-2H-chromen-2-one |
CAS: |
17831-88-8 |
Synonyms: |
4-chloro-1-benzopyran-2-one; 4-chlorochromen-2-one |
IUPAC Name: | 4-chlorochromen-2-one |
Description: | 4-Chloro-2H-chromen-2-one (CAS# 17831-88-8 ) is a useful research chemical. |
Molecular Weight: | 180.59 |
Molecular Formula: | C9H5ClO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC(=O)O2)Cl |
InChI: | InChI=1S/C9H5ClO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H |
InChI Key: | RKEYJFRSDLEQIE-UHFFFAOYSA-N |
Boiling Point: | 315.8 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
LogP: | 2.44640 |
Publication Number | Title | Priority Date |
CN-109134399-A | A kind of Isosorbide-5-Nitrae containing benzothiazole-pentadiene -3- ketones derivant, preparation method and application | 20180929 |
CN-109293616-A | One kind chalcones containing cumarin derivative, preparation method and application | 20180929 |
CN-109270712-A | Liquid crystal film and preparation method and application thereof | 20180919 |
CN-109270712-B | Liquid crystal film and preparation method and application thereof | 20180919 |
WO-2020028396-A1 | Chirality sensing with molecular click chemistry probes | 20180730 |
PMID | Publication Date | Title | Journal |
21458277 | 20110415 | Inhibition of amyloid-β aggregation by coumarin analogs can be manipulated by functionalization of the aromatic center | Bioorganic & medicinal chemistry |
20580555 | 20100801 | Coumarins incorporating hydroxy- and chloro-moieties selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic ones I and II | Bioorganic & medicinal chemistry letters |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.9978071 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.9978071 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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