4- (4-Bromophenyl) oxazole

CAT: 0127-OR93503-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR93503-01Size:100 mg

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CAS Number

54289-73-5

MDL Number

MFCD16658757

Purity

98%

Smiles

BrC1=CC=C(C2=COC=N2)C=C1

Chemical Information

4-(4-Bromophenyl)oxazole

CAS Number	54289-73-5
PubChem CID	22316595
IUPAC Name	4-(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=COC=N2)Br

InChI

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

InChIKey

JUZBHACCQAUBSC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54289-73-5

CID: 22316595

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
OR78684-01	4- (3-Bromophenyl) oxazole
OR84950-01	4- (2-Bromophenyl) oxazole
OR1100363-01	2- (4-Bromophenyl) oxazole-4-carboxylic acid
OR1088215	5- (4- (Benzyloxy) -3-bromophenyl) oxazole
OR95563-01	2- (4-Bromophenyl) benzo[d]oxazole
OR310788	2- (4-Bromophenyl) -1,3-oxazole
OR23230	5- (4-Bromophenyl) -1,3-oxazole
OR1003069-01	4- (4-Bromophenyl) -2-methyl-1,3-oxazole
OR1064374-01	2- (4-Bromophenyl) -5-chlorobenzo[d]oxazole
OR301256-01	2- (2-Bromophenyl) oxazole

Catalog	Name
265868-01	2- (4-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
413652-01	2- (4-bromophenyl) -1,3-oxazole
HAA06431	5- (4-Bromophenyl) -1,2-oxazole
3164-13-4-01	2- (4-bromophenyl) benzo[d]oxazole
sc-470006	2- (3-Bromophenyl) oxazole
XAA09138-01	2- (4-Bromophenyl) -4- (chloromethyl) -1,3-oxazole
sc-233154	5- (4-Bromophenyl) oxazole-2-propionic acid