2-Bromooxazole - CAS 125533-82-6

Catalog:	BB006135
Product Name:	2-Bromooxazole
CAS:	125533-82-6
Synonyms:	2-bromooxazole; 2-bromo-1,3-oxazole

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Computed Properties

IUPAC Name:	2-bromo-1,3-oxazole
Description:	2-Bromooxazole (CAS# 125533-82-6 ) is a useful research chemical.
Molecular Weight:	147.96
Molecular Formula:	C3H2BrNO
Canonical SMILES:	C1=COC(=N1)Br
InChI:	InChI=1S/C3H2BrNO/c4-3-5-1-2-6-3/h1-2H
InChI Key:	YCHPNSOKVRTPES-UHFFFAOYSA-N
Boiling Point:	166.2 °C at 760 mmHg
Density:	1.812 g/cm³
MDL:	MFCD09835085
LogP:	1.43710

Publication Number	Title	Priority Date
WO-2021191872-A1	Heteroaryl-substituted macrocyclic flu endonuclease inhibitors	20200326
CN-111170957-A	Preparation method of hole transport material composition containing benzoxazole and thiazole group	20200110
WO-2021130515-A1	Structurally simplified diazonamide analogs as antimitotic agents	20191223
WO-2021087127-A1	Cannabinoids and uses thereof	20191029
US-2021130365-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	50.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.93198
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.93198
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2