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6-Chloro-2-methylhexan-3-one

CAT: 0926-AAA92248-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-AAA92248-02Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
922-48-5
MDL Number
MFCD19232457
Smiles
CC (C) C (=O) CCCCl
Molecular Formula
C7H13ClO
Molecular Weight
148.63 g/mol
Controlled
No

Chemical Information

6-Chloro-2-methylhexan-3-one
CAS Number922-48-5
PubChem CID14063416
IUPAC Name6-chloro-2-methylhexan-3-one
Molecular FormulaC7H13ClO
Molecular Weight148.63
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity88
SMILES
CC(C)C(=O)CCCCl
InChI
InChI=1S/C7H13ClO/c1-6(2)7(9)4-3-5-8/h6H,3-5H2,1-2H3
InChIKey
TXSSNLJHPDNELJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-2-methylhexan-3-one
CAS: 922-48-5
CID: 14063416
Formula: C7H13ClO
MW: 148.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.63
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass148.0654927
Monoisotopic Mass148.0654927
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity88.9
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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