Methyl 5-Bromopyrimidine-2-acetate - CAS 948594-80-7

Catalog:	BB041572
Product Name:	Methyl 5-Bromopyrimidine-2-acetate
CAS:	948594-80-7
Synonyms:	2-(5-bromo-2-pyrimidinyl)acetic acid methyl ester; methyl 2-(5-bromopyrimidin-2-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(5-bromopyrimidin-2-yl)acetate
Description:	Methyl 5-Bromopyrimidine-2-acetate (CAS# 948594-80-7) is a useful research chemical.
Molecular Weight:	231.05
Molecular Formula:	C7H7BrN2O2
Canonical SMILES:	COC(=O)CC1=NC=C(C=N1)Br
InChI:	InChI=1S/C7H7BrN2O2/c1-12-7(11)2-6-9-3-5(8)4-10-6/h3-4H,2H2,1H3
InChI Key:	IGLDVBXMTQIIOO-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	0.95460

Publication Number	Title	Priority Date
AU-2018227849-A1	Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders	20170301
CN-110603252-A	Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
EP-3589628-A1	Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders	20170301
JP-2020514331-A	Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
KR-20190126831-A	Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301

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Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.96909
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.96909
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7