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Tridecanoyl chloride

CAT: 0804-HY-166026-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-166026-01Size:50 mg
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Description
Tridecanoyl chloride is an ester product.
CAS Number
17746-06-4
Product Name Alternative
Tridecanoic acid chloride
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/tridecanoyl-chloride.html
Smiles
O=C(CCCCCCCCCCCC)Cl
Molecular Formula
C13H25ClO
Molecular Weight
232.79
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Tridecanoyl chloride
CAS Number17746-06-4
PubChem CID87288
IUPAC Nametridecanoyl chloride
Molecular FormulaC13H25ClO
Molecular Weight232.79
XLogP5.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Heavy Atom Count15
Formal Charge0
Complexity145
SMILES
CCCCCCCCCCCCC(=O)Cl
InChI
InChI=1S/C13H25ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
InChIKey
FJRPWCNFWGBGOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tridecanoyl chloride
CAS: 17746-06-4
CID: 87288
Formula: C13H25ClO
MW: 232.79
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight232.79
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass232.1593931
Monoisotopic Mass232.1593931
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity145
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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