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Lauroyl chloride

CAT: 0926-FL72001-01Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FL72001-01Size:1 Kg
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CAS Number
112-16-3
MDL Number
MFCD00000740
Smiles
CCCCCCCCCCCC (=O) Cl
Molecular Formula
C12H23CIO
Molecular Weight
322.23 g/mol
Controlled
No

Chemical Information

Dodecanoyl chloride
CAS Number112-16-3
PubChem CID8166
IUPAC Namedodecanoyl chloride
Molecular FormulaC12H23ClO
Molecular Weight218.76
XLogP5.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity134
SMILES
CCCCCCCCCCCC(=O)Cl
InChI
InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3
InChIKey
NQGIJDNPUZEBRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dodecanoyl chloride
CAS: 112-16-3
CID: 8166
Formula: C12H23ClO
MW: 218.76
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight218.76
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Exact Mass218.1437430
Monoisotopic Mass218.1437430
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity134
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