2-Bromo-1-cyclobutylethanone

CAT: 0127-OR304358-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR304358-01Size:100 mg

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CAS Number

128312-69-6

MDL Number

MFCD11847541

Purity

98% (stabilized with HQ+CaCO3)

Smiles

BrCC(=O)C1CCC1

Chemical Information

2-Bromo-1-cyclobutylethan-1-one

CAS Number	128312-69-6
PubChem CID	11062940
IUPAC Name	2-bromo-1-cyclobutylethanone
Molecular Formula	C6H9BrO
Molecular Weight	177.04
XLogP	1.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	96

SMILES

C1CC(C1)C(=O)CBr

InChI

InChI=1S/C6H9BrO/c7-4-6(8)5-2-1-3-5/h5H,1-4H2

InChIKey

ODPHLRQTQFMNJQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128312-69-6

CID: 11062940

Formula: C6H9BrO

MW: 177.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.04
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	175.98368
Monoisotopic Mass	175.98368
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	96.7
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
PC1010104-01	(5-Bromo-2-fluorophenyl) cyclobutylmethanone
PC1014370-01	(4-Bromo-2,3-difluorophenyl) cyclobutylmethanone
PC1353	1-Bromo-2- (2-bromo-1-chlorotrifluoroethyl) cyclohexane
OR1084981-01	(4-Bromo-5-methyl-2-thienyl) cyclobutylmethanone
PC1015609-01	(3-Bromo-2-fluoro-5-methylphenyl) cyclobutylmethanone
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OR1052163-01	2-Bromo-1- (2-bromo-5-chlorophenyl) ethanone
OR1003355-01	1-Bromo-1,2,2-trichloroethane
OR1088751-01	2-Bromo-1- (4-bromo-2-chlorophenyl) ethanone

Catalog	Name
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