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Cyclohexanecarbonyl chloride

CAT: 0926-FC03551-02Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FC03551-02Size:250 g
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CAS Number
2719-27-9
MDL Number
MFCD00001456
Smiles
C1CCC (CC1) C (=O) Cl
Molecular Formula
C7H11ClO
Molecular Weight
146.61 g/mol
Controlled
No

Chemical Information

Cyclohexanecarbonyl chloride
CAS Number2719-27-9
PubChem CID75938
IUPAC Namecyclohexanecarbonyl chloride
Molecular FormulaC7H11ClO
Molecular Weight146.61
XLogP2.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
C1CCC(CC1)C(=O)Cl
InChI
InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
RVOJTCZRIKWHDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanecarbonyl chloride
CAS: 2719-27-9
CID: 75938
Formula: C7H11ClO
MW: 146.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.61
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass146.0498427
Monoisotopic Mass146.0498427
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
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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