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1-Chlorohexan-2-one

CAT: 0572-TRC-C611068-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C611068-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20261-68-1
Hazard Statement
Causes skin irritation
Smiles
CCCCC(=O)CCl
Molecular Formula
C6 H11 Cl O
Molecular Weight
134.604
InChI
InChI=1S/C6H11ClO/c1-2-3-4-6(8)5-7/h2-5H2,1H3
Additionnal Information
IUPAC name: 1-chlorohexan-2-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Chloro-2-hexanone
CAS Number20261-68-1
PubChem CID266571
IUPAC Name1-chlorohexan-2-one
Molecular FormulaC6H11ClO
Molecular Weight134.60
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
CCCCC(=O)CCl
InChI
InChI=1S/C6H11ClO/c1-2-3-4-6(8)5-7/h2-5H2,1H3
InChIKey
FVXNLWRKEVZHKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-2-hexanone
CAS: 20261-68-1
CID: 266571
Formula: C6H11ClO
MW: 134.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.60
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass134.0498427
Monoisotopic Mass134.0498427
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.9
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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