6-Fluoro-3-iodochromone - CAS 454689-23-7

Catalog:	BB025877
Product Name:	6-Fluoro-3-iodochromone
CAS:	454689-23-7
Synonyms:	6-fluoro-3-iodochromen-4-one

Technical Data

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Computed Properties

IUPAC Name:	6-fluoro-3-iodochromen-4-one
Description:	6-Fluoro-3-iodochromone (CAS# 454689-23-7) is a useful research chemical.
Molecular Weight:	290.03
Molecular Formula:	C9H4FIO2
Canonical SMILES:	C1=CC2=C(C=C1F)C(=O)C(=CO2)I
InChI:	InChI=1S/C9H4FIO2/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4H
InChI Key:	MSSPXIPTHXEIBG-UHFFFAOYSA-N
MDL:	MFCD09475517
LogP:	2.53670

Publication Number	Title	Priority Date
CN-112898256-A	Preparation method of 1, 2-dihydrocyclopenta [ b ] chromene-3, 9-diketone compound	20210129
CN-113149948-A	Preparation method and application of 3-methylene cyclopentano [ b ] chromone compound	20210129
CN-111732567-A	Chromone framework-containing polycyclic compound, and preparation method and application thereof	20200617
WO-2007104254-A1	A type of new pyrimidine derivatives having small molecule, preparation methods and uses thereof	20060310

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	289.92401
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	289.92401
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3