4- (3-Chlorophenyl) -4-hydroxycyclohexan-1-one

CAT: 0926-LIC70822-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-LIC70822-02Size:0.5 g

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CAS Number

1461708-22-4

MDL Number

MFCD21321147

Smiles

C1CC (CCC1=O) (C2=CC (=CC=C2) Cl) O

Molecular Formula

C12H13ClO2

Molecular Weight

224.68 g/mol

Controlled

Chemical Information

4-(3-Chlorophenyl)-4-hydroxycyclohexan-1-one

CAS Number	1461708-22-4
PubChem CID	21528268
IUPAC Name	4-(3-chlorophenyl)-4-hydroxycyclohexan-1-one
Molecular Formula	C12H13ClO2
Molecular Weight	224.68
XLogP	1.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	242

SMILES

C1CC(CCC1=O)(C2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C12H13ClO2/c13-10-3-1-2-9(8-10)12(15)6-4-11(14)5-7-12/h1-3,8,15H,4-7H2

InChIKey

FXIHJHPNEGAZFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1461708-22-4

CID: 21528268

Formula: C12H13ClO2

MW: 224.68

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	224.68
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	224.0604073
Monoisotopic Mass	224.0604073
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242
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
QBA50383-01	4- (3-Fluorophenyl) -4-hydroxycyclohexan-1-one
PRB53104-01	4-Butyl-4-hydroxycyclohexan-1-one
LBA71669-01	4- (4-Fluorophenyl) -4-hydroxycyclohexan-1-one
AEA76542-01	1- (4-Chlorophenyl) -4-methylpentan-3-one
LFA33371-01	3- (4-Chlorophenyl) cyclohexan-1-one
QEA16977-01	3- (4-Chlorophenyl) cyclopentan-1-one
WCA57393-01	1- (4-Chlorophenyl) -3-methylbutan-1-one
KCA85132-01	1- (4-Chlorophenyl) -3,3-dimethylbutan-1-one
QCA61953-01	4- (3-Chlorophenyl) -4- (dimethylamino) cyclohexan-1-one
LBA71675-01	4- (4-Chlorophenyl) cyclohex-3-en-1-one

Catalog	Name
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AL FA 0004-01	3- (4-chlorophenyl) -3- (4-chlorophenyl) sulfanyl-1- (3,4-dimethylphenyl) propan-1-one
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OR322635	3- (4-Chlorophenyl) -1-phenylpropan-1-one
OR26943	3- (3-Chlorophenyl) -1- (4-chlorophenyl) prop-2-en-1-one
OR1068860-01	1- (4-Chlorophenyl) -4,4-dimethylpentan-3-one