1- (4-Bromophenyl) azetidine

CAT: 0127-OR1049344-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1049344-01Size:100 mg

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CAS Number

28192-14-5

MDL Number

MFCD28358597

Purity

95%

Smiles

BrC1=CC=C(N2CCC2)C=C1

Chemical Information

1-(4-Bromophenyl)azetidine

CAS Number	28192-14-5
PubChem CID	90487676
IUPAC Name	1-(4-bromophenyl)azetidine
Molecular Formula	C9H10BrN
Molecular Weight	212.09
XLogP	2.9
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	126

SMILES

C1CN(C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C9H10BrN/c10-8-2-4-9(5-3-8)11-6-1-7-11/h2-5H,1,6-7H2

InChIKey

YMMQHSTWCCXESJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28192-14-5

CID: 90487676

Formula: C9H10BrN

MW: 212.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.09
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	210.99966
Monoisotopic Mass	210.99966
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126
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
OR5812-01	1-[ (4-Bromophenyl) sulphonyl]azetidine
OR1080169	1-[ (4-Bromophenyl) methyl]azetidine
OR87012-01	3- (4-Bromophenyl) azetidine hydrochloride
OR86138-01	Tert-Butyl 3- (4-bromophenyl) azetidine-1-carboxylate
OR1021071	2- (3-Bromophenyl) azetidine hydrochloride
OR1098675	1- (4-Bromophenyl) -4-methylcyclohexanol
OR1045094-01	1- (4-Bromophenyl) -4-phenylnaphthalene
OR1097275	4- (4-Bromophenyl) -1,1-dimethylcyclohexane
OR91454-01	1- (4-Bromophenyl) cyclopropanamine
OR95485	1- (4-Bromophenyl) cyclohexanol

Catalog	Name
263265-01	3- (4-Bromophenyl) azetidine
TRC-B686425-1G	3-(4-Bromophenyl)azetidine
sc-258550A	1-[ (4-Bromophenyl) sulphonyl]azetidine
QDA56174-01	3- (4-Bromophenyl) azetidine HCl
263271-01	3-[ (4-Bromophenyl) methyl]azetidine
SIC06215-01	2- (4-Bromophenyl) azetidine hydrochloride
GGD26920-01	3-[ (4-Bromophenyl) methyl]azetidine trifluoroacetate
VAC55617-01	2- (3-bromophenyl) azetidine
LIC70835-01	2- (3-Bromophenyl) azetidine hydrochloride
DYB68381-01	3- (3-bromophenyl) azetidine hcl