3-Fluoro-4-formylphenylboronic Acid Pinacol Ester - CAS 503176-50-9

Catalog:	BB027004
Product Name:	3-Fluoro-4-formylphenylboronic Acid Pinacol Ester
CAS:	503176-50-9
Synonyms:	2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde; 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Description:	3-Fluoro-4-formylphenylboronic Acid Pinacol Ester (CAS# 503176-50-9) is a useful research chemical.
Molecular Weight:	250.07
Molecular Formula:	C13H16FO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C=O)F
InChI:	InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-8H,1-4H3
InChI Key:	IIFHCQXSBTZOCF-UHFFFAOYSA-N
MDL:	MFCD16036135
LogP:	1.93740

Publication Number	Title	Priority Date
US-2020199131-A1	Imidazopyridazine and imidazopyridine compounds and uses thereof	20181220
TW-202039502-A	Imidazopyridazine and imidazopyridine compounds and uses thereof	20181220
KR-20210116488-A	Imidazopyridazine and imidazopyridine compounds as inhibitors of activin receptor-like kinase-2	20181220
KR-101876018-B1	Novel compound and solar cell including the same	20160429
KR-20170124005-A	Novel compound and solar cell including the same	20160429

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[1376938-36-1]
ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
[147621-18-9]
Indole-6-boronic Acid
[70557-99-2]
Iodomethylboronic Acid Pinacol Ester

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Complexity:	316
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.1176527
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.1176527
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0