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12-Chlorododecanoic Acid

CAT: 0572-TRC-C363165-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C363165-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22075-86-1
Synonyms
NSC 667272;
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
OC(=O)CCCCCCCCCCCCl
Molecular Formula
C12H23ClO2
Molecular Weight
234.76
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

12-Chloro-dodecanoic acid

12-chloro-dodecanoic acid is a medium-chain fatty acid.

CAS Number22075-86-1
PubChem CID381109
IUPAC Name12-chlorododecanoic acid
Molecular FormulaC12H23ClO2
Molecular Weight234.76
XLogP4.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count15
Formal Charge0
Complexity149
SMILES
C(CCCCCC(=O)O)CCCCCCl
InChI
InChI=1S/C12H23ClO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
InChIKey
CSQLFBKZQRLUFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12-Chloro-dodecanoic acid
CAS: 22075-86-1
CID: 381109
Formula: C12H23ClO2
MW: 234.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.76
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass234.1386577
Monoisotopic Mass234.1386577
Topological Polar Surface Area37.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity149
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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