3- (4-Bromophenyl) oxetane

CAT: 0127-OR312162-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR312162-01Size:50 mg

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CAS Number

1402158-49-9

MDL Number

MFCD22628728

Purity

95%

Smiles

Brc1ccc(cc1)C2COC2

Chemical Information

3-(4-Bromophenyl)oxetane

CAS Number	1402158-49-9
PubChem CID	70818452
IUPAC Name	3-(4-bromophenyl)oxetane
Molecular Formula	C9H9BrO
Molecular Weight	213.07
XLogP	2.3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	126

SMILES

C1C(CO1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C9H9BrO/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8H,5-6H2

InChIKey

NASAZXLCAPUVRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1402158-49-9

CID: 70818452

Formula: C9H9BrO

MW: 213.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.07
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	211.98368
Monoisotopic Mass	211.98368
Topological Polar Surface Area	9.2 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
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Catalog	Name
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