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(4-Chlorophenyl) (Cyclopentyl) Methanone

CAT: 1299-RG-A261170-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261170-01Size:10 mg
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CAS Number
2204-98-0
Synonyms
(4-chlorophenyl) (cyclopentyl) methanone
Molecular Formula
C12H13ClO
Molecular Weight
208.69
Product Name Synonym
(4-chlorophenyl) (cyclopentyl) methanone

Chemical Information

(4-Chlorophenyl)cyclopentylmethanone
CAS Number2204-98-0
PubChem CID11127518
IUPAC Name(4-chlorophenyl)-cyclopentylmethanone
Molecular FormulaC12H13ClO
Molecular Weight208.68
XLogP3.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity200
SMILES
C1CCC(C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClO/c13-11-7-5-10(6-8-11)12(14)9-3-1-2-4-9/h5-9H,1-4H2
InChIKey
OAUNRWNNNLUFEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Chlorophenyl)cyclopentylmethanone
CAS: 2204-98-0
CID: 11127518
Formula: C12H13ClO
MW: 208.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.68
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass208.0654927
Monoisotopic Mass208.0654927
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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