(4-Chlorophenyl) (cyclobutyl) methanone

CAT: 0127-OR1059838-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059838-01Size:100 mg

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CAS Number

77585-25-2

MDL Number

MFCD03841262

Purity

98%

Smiles

O=C(C1=CC=C(Cl)C=C1)C2CCC2

Chemical Information

4-Chlorophenyl cyclobutyl ketone

CAS Number	77585-25-2
PubChem CID	12603964
IUPAC Name	(4-chlorophenyl)-cyclobutylmethanone
Molecular Formula	C11H11ClO
Molecular Weight	194.66
XLogP	3.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	190

SMILES

C1CC(C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClO/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8H,1-3H2

InChIKey

IHSRIIPWSHCVCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77585-25-2

CID: 12603964

Formula: C11H11ClO

MW: 194.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.66
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	194.0498427
Monoisotopic Mass	194.0498427
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	190
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
OR451175-01	(4-Bromophenyl) cyclobutyl-methanone
OR1080431-01	Cyclobutyl (4-phenoxyphenyl) methanone
OR1084354	Cyclobutyl[4- (dimethylamino) phenyl]methanone
OR1080315-01	Cyclobutyl (2,4-dimethoxyphenyl) methanone
OR1094795	Cyclobutyl (3,4-dichlorophenyl) methanone
OR1094794	Cyclobutyl (3,4-dimethylphenyl) methanone
OR1094793	Cyclobutyl (2,4-dimethylphenyl) methanone
OR1095465	(3-Chlorophenyl) (4-chlorophenyl) methanone
OR13768	[1- (4-Chlorophenyl) cyclobutyl]methylamine
OR24774	Cyclobutyl[4- (2-methoxyphenyl) piperidino]methanone

Catalog	Name
431294-01	(4-Bromophenyl) (cyclobutyl) methanone
DCA34239-01	Cyclobutyl (4-methylphenyl) methanone
AEA12180-01	Cyclobutyl (4-methoxyphenyl) methanone
UTB48337-01	(4-Chlorophenyl) (cyclobutyl) methanamine
CDA58525-01	4-Chlorophenyl cyclobutyl ketone
HBA44620-01	Cyclobutyl (cyclohexyl) methanone
HAA49866-01	(3-Chlorophenyl) (4-chlorophenyl) methanone
RKC43083-01	Cyclobutyl (cyclopentyl) methanone
PAA11401-01	Cyclobutyl (cyclopropyl) methanone
GTR19256356-01	[1- (4-chlorophenyl) cyclobutyl]methanamine