5-Bromo-4-chloro-2-(methylsulfonyl)pyrimidine - CAS 79091-24-0

Catalog:	BB036286
Product Name:	5-Bromo-4-chloro-2-(methylsulfonyl)pyrimidine
CAS:	79091-24-0
Synonyms:	5-bromo-4-chloro-2-methylsulfonylpyrimidine; 5-bromo-4-chloro-2-methylsulfonylpyrimidine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-4-chloro-2-methylsulfonylpyrimidine
Description:	5-Bromo-4-chloro-2-(methylsulfonyl)pyrimidine (CAS# 79091-24-0 ) is a useful research chemical.
Molecular Weight:	271.52
Molecular Formula:	C5H4BrClN2O2S
Canonical SMILES:	CS(=O)(=O)C1=NC=C(C(=N1)Cl)Br
InChI:	InChI=1S/C5H4BrClN2O2S/c1-12(10,11)5-8-2-3(6)4(7)9-5/h2H,1H3
InChI Key:	FATRNESSGITUQV-UHFFFAOYSA-N
Boiling Point:	431.3 °C at 760 mmHg
Density:	1.862 g/cm³
MDL:	MFCD11046327
LogP:	2.37680

Publication Number	Title	Priority Date
WO-2021018820-A1	Heteroaryl-substituted pyrazolo-pyridine protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20190729
DE-4029650-A1	2-ANILINO-PYRIMIDINE, METHOD FOR THE PRODUCTION THEREOF, CONTAINERS THEREOF AND THEIR USE AS FUNGICIDES	19900919
DE-3743236-A1	HEAVY METAL CONTAINERS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR COLORING AND PRINTING FIBER MATERIALS	19871219
EP-0321784-A2	Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials	19871219
EP-0321784-B1	Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials	19871219

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Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.88654
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	269.88654
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4