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(4-Chlorophenyl)(1-hydroxycyclopentyl)methanone

CAT: 0572-TRC-C380740-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C380740-100MGSize:100 mg
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CAS Number
1696839-44-7
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC1(CCCC1)C(=O)c2ccc(Cl)cc2
Molecular Formula
C12H13ClO2
Molecular Weight
224.68
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(4-Chlorophenyl)(1-hydroxycyclopentyl)methanone
CAS Number1696839-44-7
PubChem CID20523462
IUPAC Name(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
Molecular FormulaC12H13ClO2
Molecular Weight224.68
XLogP2.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity238
SMILES
C1CCC(C1)(C(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)11(14)12(15)7-1-2-8-12/h3-6,15H,1-2,7-8H2
InChIKey
UHYZCRZFWDYXMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Chlorophenyl)(1-hydroxycyclopentyl)methanone
CAS: 1696839-44-7
CID: 20523462
Formula: C12H13ClO2
MW: 224.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.68
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass224.0604073
Monoisotopic Mass224.0604073
Topological Polar Surface Area37.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity238
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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