5-(2-Bromophenyl)oxazole - CAS 328270-70-8

Catalog:	BB021428
Product Name:	5-(2-Bromophenyl)oxazole
CAS:	328270-70-8
Synonyms:	5-(2-bromophenyl)oxazole; 5-(2-bromophenyl)-1,3-oxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(2-bromophenyl)-1,3-oxazole
Description:	5-(2-Bromophenyl)oxazole (CAS# 328270-70-8) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC=C(C(=C1)C2=CN=CO2)Br
InChI:	InChI=1S/C9H6BrNO/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H
InChI Key:	JLTHLCLAPCIKJJ-UHFFFAOYSA-N
Solubility:	8.5 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Yellow liquid
MDL:	MFCD05668985
LogP:	3.10410

Publication Number	Title	Priority Date
US-2020031802-A1	Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and use thereof	20170308
WO-2018161876-A1	Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and use thereof	20170308
CN-108570038-B	Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and application thereof	20170308
US-11078188-B2	Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and use thereof	20170308
EP-3286178-A1	Amino-substituted heterocyclic derivatives as sodium channel inhibitors	20150421

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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:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7