4-Fluorobenzofuran-7-carbaldehyde - CAS 555155-07-2

Catalog:	BB029074
Product Name:	4-Fluorobenzofuran-7-carbaldehyde
CAS:	555155-07-2
Synonyms:	4-fluoro-7-benzofurancarboxaldehyde; 4-fluoro-1-benzofuran-7-carbaldehyde

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Computed Properties

IUPAC Name:	4-fluoro-1-benzofuran-7-carbaldehyde
Description:	4-Fluorobenzofuran-7-carbaldehyde (CAS# 555155-07-2) is a useful research chemical.
Molecular Weight:	164.13
Molecular Formula:	C9H5FO2
Canonical SMILES:	C1=CC(=C2C=COC2=C1C=O)F
InChI:	InChI=1S/C9H5FO2/c10-8-2-1-6(5-11)9-7(8)3-4-12-9/h1-5H
InChI Key:	MBVFRSJFKMJRHA-UHFFFAOYSA-N
Boiling Point:	260.6 °C at 760 mmHg
Density:	1.342 g/cm³
LogP:	2.38440

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-2303893-B1	Tricyclic indole derivatives	20080613
US-2011189127-A1	Tricyclic indole derivatives and methods of use thereof	20080613
US-8901139-B2	Tricyclic indole derivatives and methods of use thereof	20080613

PMID	Publication Date	Title	Journal
23044819	20121128	Synthesis of 2-arylindole derivatives and evaluation as nitric oxide synthase and NFκB inhibitors	Organic & biomolecular chemistry
22272931	20120208	Enol ethers as substrates for efficient Z- and enantioselective ring-opening/cross-metathesis reactions promoted by stereogenic-at-Mo complexes: utility in chemical synthesis and mechanistic attributes	Journal of the American Chemical Society
22119129	20120101	Synthesis, molecular docking study and antitumor activity of novel 2-phenylindole derivatives	European journal of medicinal chemistry
21871845	20110915	A highly sensitive LC-ESI-MS/MS method for the quantification of cholesterol ozonolysis products secosterol-A and secosterol-B after derivatization with 2-hydrazino-1-methylpyridine	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
21476569	20110511	Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition	Journal of agricultural and food chemistry

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.02735756
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.02735756
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9