Ethyl 5-Bromobenzofuran-2-carboxylate - CAS 84102-69-2

Catalog:	BB037126
Product Name:	Ethyl 5-Bromobenzofuran-2-carboxylate
CAS:	84102-69-2
Synonyms:	5-bromo-2-benzofurancarboxylic acid ethyl ester; ethyl 5-bromo-1-benzofuran-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl 5-bromo-1-benzofuran-2-carboxylate
Description:	Ethyl 5-Bromobenzofuran-2-carboxylate (CAS# 84102-69-2) is a useful research chemical.
Molecular Weight:	269.09
Molecular Formula:	C11H9BrO3
Canonical SMILES:	CCOC(=O)C1=CC2=C(O1)C=CC(=C2)Br
InChI:	InChI=1S/C11H9BrO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
InChI Key:	XLJWAHXKBCDQNP-UHFFFAOYSA-N
Boiling Point:	328.3 °C at 760 mmHg
Density:	1.52 g/cm³
LogP:	3.37200

Publication Number	Title	Priority Date
CN-111848591-A	HDAC inhibitors and methods of making and using the same	20190425
WO-2020216298-A1	Hdac inhibitor, preparation method therefor and use thereof	20190425
TW-202003513-A	Inhibitors of plasma kallikrein and uses thereof	20180313
US-2019284182-A1	Inhibitors of plasma kallikrein and uses thereof	20180313
WO-2019178129-A1	Substituted imidazopyridines as inhibitors of plasma kallikrein and uses thereof	20180313

PMID	Publication Date	Title	Journal
21522441	20110223	Ethyl 5-bromo-1-benzofuran-2-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.97351
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	267.97351
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6