2- (4-Bromophenyl) oxazole

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CAT#:0024-sc-282627ASize:1 g

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CAS Number

176961-50-5

Chemical Information

2-(4-Bromophenyl)oxazole

CAS Number	176961-50-5
PubChem CID	11075032
IUPAC Name	2-(4-bromophenyl)-1,3-oxazole
Molecular Formula	C9H6BrNO
Molecular Weight	224.05
XLogP	2.7
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	145

SMILES

C1=CC(=CC=C1C2=NC=CO2)Br

InChI

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

InChIKey

LAPKDKRJQXERIR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 176961-50-5

CID: 11075032

Formula: C9H6BrNO

MW: 224.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.05
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	222.96328
Monoisotopic Mass	222.96328
Topological Polar Surface Area	26 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-470006	2- (3-Bromophenyl) oxazole
sc-233154	5- (4-Bromophenyl) oxazole-2-propionic acid
sc-337732	Ethyl 2- (4'-bromophenyl) -1,3-oxazole-4-carboxylate
sc-262297	5- (4-Bromophenyl) -1,3-oxazole
sc-262297A	5- (4-Bromophenyl) -1,3-oxazole
sc-299629	5- (2-Bromophenyl) -1,3-oxazole
sc-299629A	5- (2-Bromophenyl) -1,3-oxazole
sc-498276	4,4-Dimethyl-2- (4-bromophenyl) -2-oxazoline
sc-229852	2- (4-Nitrophenyl) oxazole
sc-265252	2- (4-Methoxybenzoyl) oxazole

Catalog	Name
OR93503-01	4- (4-Bromophenyl) oxazole
OR78684-01	4- (3-Bromophenyl) oxazole
265868-01	2- (4-Bromophenyl) oxazole
OR84950-01	4- (2-Bromophenyl) oxazole
MCA89329-01	4- (4-Bromophenyl) -1,2-oxazole
229438-01	2- (4-Bromophenyl) oxazole ≥95% (HPLC)
XCA57106	5- (4-Bromophenyl) -1,3-oxazole
OR1088215	5- (4- (Benzyloxy) -3-bromophenyl) oxazole
OR1100363-01	2- (4-Bromophenyl) oxazole-4-carboxylic acid
HAA06431	5- (4-Bromophenyl) -1,2-oxazole