CAS 243455-57-4 | 5-(3-Bromophenyl);oxazole | CAS Number 243455-57-4

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243455-57-4 | 5-(3-Bromophenyl);oxazole

CAS No: 243455-57-4 Catalog No: AG003M4G MDL No:MFCD05668970

Product Description

Catalog Number:

AG003M4G

Chemical Name:

5-(3-Bromophenyl);oxazole

CAS Number:

243455-57-4

Molecular Formula:

C9H6BrNO

Molecular Weight:

224.0540

MDL Number:

MFCD05668970

IUPAC Name:

5-(3-bromophenyl)-1,3-oxazole

InChI:

InChI=1S/C9H6BrNO/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H

InChI Key:

GUYZQMXSOVOSIC-UHFFFAOYSA-N

SMILES:

Brc1cccc(c1)c1cnco1

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.963g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.057g/mol

Monoisotopic Mass:

222.963g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
A novel ring oxidation of 4- or 5-substituted 2H-oxazole to corresponding 2-oxazolone catalyzed by cytosolic aldehyde oxidase.	Drug metabolism and disposition: the biological fate of chemicals 20120901
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501