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

Technical Data

Patents

Computed Properties

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

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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