6-Fluorochromone-2-carboxylic acid - CAS 99199-59-4
Catalog: |
BB042267 |
Product Name: |
6-Fluorochromone-2-carboxylic acid |
CAS: |
99199-59-4 |
Synonyms: |
6-fluoro-4-oxochromene-2-carboxylic acid |
IUPAC Name: | 6-fluoro-4-oxochromene-2-carboxylic acid |
Description: | 6-Fluorochromone-2-carboxylic acid (CAS# 99199-59-4) is a reactant in the preparation of 6-halochromone carboxamides as potent, selective and nontoxic inhibitors of ABCG2, a breast cancer resistance protein. |
Molecular Weight: | 208.14 |
Molecular Formula: | C10H5FO4 |
Canonical SMILES: | C1=CC2=C(C=C1F)C(=O)C=C(O2)C(=O)O |
InChI: | InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14) |
InChI Key: | JZJYDFADRMBXAW-UHFFFAOYSA-N |
Boiling Point: | 347.5 °C at 760 mmHg |
Melting Point: | 257-259 °C |
Purity: | 95 % |
Density: | 1.582 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD03070543 |
LogP: | 1.63030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
WO-2021125412-A1 | Defect-suppressed metal halide perovskite luminescent material, and light-emitting diode comprising same | 20191216 |
US-2021214701-A1 | Modified cleavases, uses thereof and related kits | 20190326 |
WO-2020130592-A1 | Metal halide perovskite light emitting device and method for manufacturing same | 20181217 |
KR-20200055868-A | 4-oxo-4H-chromene-2-carboxamide derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-â…¡ receptor activity related diseases containing the same as an active ingredient | 20181113 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.01718680 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.01718680 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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