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(3-Chlorophenyl)cyclopentylmethanone

CAT: 0572-TRC-C377825-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C377825-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1855-40-9
Synonyms
m-Chlorophenyl Cyclopentyl Ketone
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Clc1cccc(c1)C(=O)C2CCCC2
Molecular Formula
C12H13ClO
Molecular Weight
208.68
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(3-Chlorophenyl)(cyclopentyl)methanone
CAS Number1855-40-9
PubChem CID15323827
IUPAC Name(3-chlorophenyl)-cyclopentylmethanone
Molecular FormulaC12H13ClO
Molecular Weight208.68
XLogP4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity208
SMILES
C1CCC(C1)C(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H13ClO/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2
InChIKey
XOIRTJDXSCKPCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Chlorophenyl)(cyclopentyl)methanone
CAS: 1855-40-9
CID: 15323827
Formula: C12H13ClO
MW: 208.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.68
XLogP34
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
Complexity208
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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