Methyl 5-Bromo-2-furoate - CAS 2527-99-3

Catalog:	BB018837
Product Name:	Methyl 5-Bromo-2-furoate
CAS:	2527-99-3
Synonyms:	5-bromo-2-furancarboxylic acid methyl ester; methyl 5-bromofuran-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-bromofuran-2-carboxylate
Description:	Methyl 5-Bromo-2-furoate (CAS# 2527-99-3) is a useful research chemical.
Molecular Weight:	205.01
Molecular Formula:	C6H5BrO3
Canonical SMILES:	COC(=O)C1=CC=C(O1)Br
InChI:	InChI=1S/C6H5BrO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
InChI Key:	FBPIDMAELBIRLE-UHFFFAOYSA-N
Boiling Point:	226.3 °C at 760 mmHg
Density:	1.623 g/cm³
MDL:	MFCD00092313
LogP:	1.82870

Publication Number	Title	Priority Date
CN-112939829-A	Synthetic method of aryl trifluoromethyl thioether	20210304
US-2021292301-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
WO-2021160718-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
CA-3089634-A1	Thermally sensitive protecting groups for cysteine, and manufacture and use thereof	20190806
US-2021040105-A1	Thermally Sensitive Protecting Groups for Cysteine, and Manufacture and Use Thereof	20190806

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GHS Hazard Statement:	H315 (13.33%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.94221
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.94221
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8