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Chloromethyl Laurate

CAT: 0572-TRC-C371005-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C371005-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61413-67-0
Synonyms
Dodecanoic Acid Chloromethyl Ester; Chloromethyl Dodecanoate; Dodecanoyloxymethyl Chloride
Hazard Statement
No Data Available; UN number: UN3261; Packing Group: II
Smiles
CCCCCCCCCCCC(=O)OCCl
Molecular Formula
C13 H25 Cl O2
Molecular Weight
248.79
InChI
InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-13(15)16-12-14/h2-12H2,1H3
Additionnal Information
IUPAC name: chloromethyl dodecanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Chloromethyl dodecanoate

See also: Dodecanoic acid chloromethyl ester (annotation moved to).

CAS Number61413-67-0
PubChem CID543634
IUPAC Namechloromethyl dodecanoate
Molecular FormulaC13H25ClO2
Molecular Weight248.79
XLogP6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity160
SMILES
CCCCCCCCCCCC(=O)OCCl
InChI
InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-13(15)16-12-14/h2-12H2,1H3
InChIKey
XCHDYWCWXAASER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chloromethyl dodecanoate
CAS: 61413-67-0
CID: 543634
Formula: C13H25ClO2
MW: 248.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.79
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass248.1543077
Monoisotopic Mass248.1543077
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity160
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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