2-Bromo-5-fluoropyrimidine - CAS 947533-45-1

Catalog:	BB041489
Product Name:	2-Bromo-5-fluoropyrimidine
CAS:	947533-45-1
Synonyms:	2-bromo-5-fluoropyrimidine; 2-bromo-5-fluoropyrimidine

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Catalog	Size	Price	Stock	Quantity
BB041489	25 g	$688	In stock

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Computed Properties

IUPAC Name:	2-bromo-5-fluoropyrimidine
Description:	2-Bromo-5-fluoropyrimidine (CAS# 947533-45-1) is a useful research chemical.
Molecular Weight:	176.97
Molecular Formula:	C4H2BrFN2
Canonical SMILES:	C1=C(C=NC(=N1)Br)F
InChI:	InChI=1S/C4H2BrFN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChI Key:	ANSMRNCOBLTNBO-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD09835164
LogP:	1.37820

Publication Number	Title	Priority Date
WO-2021211741-A1	Substituted pyridines for the treatment of inflammatory diseases	20200414
CN-111205272-A	Material for organic electroluminescent device and organic electroluminescent device thereof	20200220
CN-111205272-B	Material for organic electroluminescent device and organic electroluminescent device thereof	20200220
WO-2021064570-A1	N-substututed-6-oxo-1,6-dihydropyrimidine-2-yl derivatives as inhibitors of the human immunodeficiency virus replication	20191001
WO-2021057882-A1	Egfr inhibitor, composition and preparation method therefor	20190926

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GHS Hazard Statement:	H302 (100%): 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:	72.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.93854
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.93854
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3