4- (4-Bromophenoxy) azetidin-2-one

CAT: 0926-JBD31993-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JBD31993-01Size:50 mg

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CAS Number

1909319-93-2

MDL Number

MFCD29055116

Smiles

C1C (NC1=O) OC2=CC=C (C=C2) Br

Molecular Formula

C9H8BrNO2

Molecular Weight

242.07 g/mol

Controlled

Chemical Information

4-(4-Bromophenoxy)azetidin-2-one

CAS Number	1909319-93-2
PubChem CID	121553296
IUPAC Name	4-(4-bromophenoxy)azetidin-2-one
Molecular Formula	C9H8BrNO2
Molecular Weight	242.07
XLogP	1.8
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	202

SMILES

C1C(NC1=O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C9H8BrNO2/c10-6-1-3-7(4-2-6)13-9-5-8(12)11-9/h1-4,9H,5H2,(H,11,12)

InChIKey

NQEVODJKSGEQMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1909319-93-2

CID: 121553296

Formula: C9H8BrNO2

MW: 242.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.07
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	240.97384
Monoisotopic Mass	240.97384
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JBD33673-01	4- (4-Aminophenoxy) azetidin-2-one
DEA24789-01	4- (4-Bromophenyl) azetidin-2-one
GBA89887-01	4- (4-Nitrophenoxy) azetidin-2-one
WAA16120-01	4- (4-Chlorophenyl) azetidin-2-one
TCA48590-01	4- (2-Oxopropyl) azetidin-2-one
IDA71663-01	4- (2-Chlorophenyl) azetidin-2-one
JBD31885-01	4- (2-Aminophenoxy) azetidin-2-one
YLB68173-01	4-[2- (4-Bromophenoxy) ethyl]piperazin-2-one
ENB22425-01	3- (4-Bromophenoxy) azetidine
EFC81230-01	4-[ (4-Methoxyphenyl) methyl]azetidin-2-one

Catalog	Name
sc-290470	4-Phenyl-azetidin-2-one
OR51994	4- (Hydroxymethyl) azetidin-2-one
OR1034659-01	4- (4-Methylphenyl) azetidin-2-one
OR1036158-01	4- (4-Chlorophenyl) azetidin-2-one
OR1049522-01	4- (2,4-Dichlorophenyl) azetidin-2-one
OR1033556-01	4- (2-Chlorophenyl) azetidin-2-one
OR1034080-01	4- (3-Chlorophenyl) azetidin-2-one
OR1005336	4- (3-Bromophenyl) azetidin-2-one
OR78645-01	4- (3-Methoxyphenyl) azetidin-2-one
OR304320	4- (Propan-2-yl) azetidin-2-one