5-Bromobenzofuran-3(2H)-one - CAS 54450-20-3

Catalog:	BB028664
Product Name:	5-Bromobenzofuran-3(2H)-one
CAS:	54450-20-3
Synonyms:	5-bromo-3-benzofuranone; 5-bromo-1-benzofuran-3-one

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1-benzofuran-3-one
Description:	5-Bromobenzofuran-3(2H)-one (CAS# 54450-20-3) is a useful research chemical.
Molecular Weight:	213.03
Molecular Formula:	C8H5BrO2
Canonical SMILES:	C1C(=O)C2=C(O1)C=CC(=C2)Br
InChI:	InChI=1S/C8H5BrO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2
InChI Key:	UXUCDQLDYILHQI-UHFFFAOYSA-N
Boiling Point:	319.486 °C at 760 mmHg
Density:	1.743 g/cm³
MDL:	MFCD06738724
LogP:	2.02420

Publication Number	Title	Priority Date
KR-20210059632-A	Novel derivatives having 2,3-dihydro-1H-indene or 2,3-dihydrobenzofuran moiety or pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the same	20191115
WO-2021096238-A1	Novel derivatives having 2,3-dihydro-1h-indene or 2,3-dihydrobenzofuran moiety or pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the same	20191115
WO-2021047627-A1	Fused cyclic compound capable of degrading protein and use thereof	20190912
WO-2021047674-A1	Bicyclic compound that acts as crbn protein regulator	20190912
WO-2019141229-A1	Compound as ppar agonist and application thereof	20180119

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.94729
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.94729
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2