Ethyl 5-Bromoimidazole-2-carboxylate - CAS 944900-49-6

Catalog:	BB041362
Product Name:	Ethyl 5-Bromoimidazole-2-carboxylate
CAS:	944900-49-6
Synonyms:	5-bromo-1H-imidazole-2-carboxylic acid ethyl ester; ethyl 5-bromo-1H-imidazole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 5-bromo-1H-imidazole-2-carboxylate
Description:	Ethyl 5-Bromoimidazole-2-carboxylate (CAS# 944900-49-6) is a useful research chemical.
Molecular Weight:	219.04
Molecular Formula:	C6H7BrN2O2
Canonical SMILES:	CCOC(=O)C1=NC=C(N1)Br
InChI:	InChI=1S/C6H7BrN2O2/c1-2-11-6(10)5-8-3-4(7)9-5/h3H,2H2,1H3,(H,8,9)
InChI Key:	ZCIMIBOKGAGKRV-UHFFFAOYSA-N
Boiling Point:	331.1 °C at 760 mmHg
Density:	1.664 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.34890

Publication Number	Title	Priority Date
WO-2021070132-A1	Bi-aryl dihydroorotate dehydrogenase inhibitors	20191010
WO-2021038426-A1	Substituted 1,3-phenyl heteroaryl derivatives and their use in the treatment of disease	20190828
WO-2019233456-A1	Erk inhibitor and use thereof	20180608
WO-2019233457-A1	Erk inhibitor and use thereof	20180608
TW-202016102-A	ERK inhibitor and its application	20180608

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Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.96909
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.96909
Rotatable Bond Count:	3
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6