6-Fluoro-4-hydroxycoumarin - CAS 1994-13-4
Catalog: |
BB015398 |
Product Name: |
6-Fluoro-4-hydroxycoumarin |
CAS: |
1994-13-4 |
Synonyms: |
6-fluoro-4-hydroxy-1-benzopyran-2-one; 6-fluoro-4-hydroxychromen-2-one |
IUPAC Name: | 6-fluoro-4-hydroxychromen-2-one |
Description: | 6-Fluoro-4-hydroxycoumarin (CAS# 1994-13-4) is a useful research chemical. |
Molecular Weight: | 180.13 |
Molecular Formula: | C9H5FO3 |
Canonical SMILES: | C1=CC2=C(C=C1F)C(=CC(=O)O2)O |
InChI: | InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H |
InChI Key: | JCOYNGQUPPGRNB-UHFFFAOYSA-N |
Boiling Point: | 292.1 °C at 760 mmHg |
Density: | 1.549 g/cm3 |
MDL: | MFCD03094006 |
LogP: | 1.63770 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020147039-A1 | Compounds useful in inhibiting human trefoil factor 3 | 20170605 |
KR-101841834-B1 | Novel synthetic method of chromenopyridinone compounds | 20160630 |
KR-20180003668-A | Novel synthetic method of chromenopyridinone compounds | 20160630 |
AU-2017276626-A1 | New antibacterial compounds | 20160608 |
AU-2017276627-A1 | New antibacterial compounds | 20160608 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.02227218 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.02227218 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Benzopyrans
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