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Stearoyl Chloride

CAT: 1299-RM-C011408-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C011408-01Size:10 mg
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CAS Number
112-76-5
Synonyms
Stearoyl chloride
Molecular Formula
C18H35ClO
Molecular Weight
302.93
Product Name Synonym
Stearoyl chloride

Chemical Information

Stearoyl chloride
CAS Number112-76-5
PubChem CID8212
IUPAC Nameoctadecanoyl chloride
Molecular FormulaC18H35ClO
Molecular Weight302.9
XLogP8.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity204
SMILES
CCCCCCCCCCCCCCCCCC(=O)Cl
InChI
InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3
InChIKey
WTBAHSZERDXKKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stearoyl chloride
CAS: 112-76-5
CID: 8212
Formula: C18H35ClO
MW: 302.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.9
XLogP38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Exact Mass302.2376434
Monoisotopic Mass302.2376434
Topological Polar Surface Area17.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity204
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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