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Linoleoyl Chloride

CAT: 0572-TRC-L467670-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-L467670-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7459-33-8
Synonyms
(9Z,12Z)-9,12-Octadecadienoyl Chloride; (Z,Z)-9,12-Octadecadienoyl Chloride; (Z,Z)-Octadeca-9,12-dienoyl Chloride; Linoleic Acid Chloride
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3265; Packing Group: II
Smiles
CCCCC\C=C/C\C=C/CCCCCCCC(=O)Cl
Molecular Formula
C18 H31 Cl O
Molecular Weight
298.89
InChI
InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9-
Additionnal Information
IUPAC name: (9Z,12Z)-octadeca-9,12-dienoyl chloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Linoleoyl chloride
CAS Number7459-33-8
PubChem CID9817754
IUPAC Name(9Z,12Z)-octadeca-9,12-dienoyl chloride
Molecular FormulaC18H31ClO
Molecular Weight298.9
XLogP7.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Heavy Atom Count20
Formal Charge0
Complexity269
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl
InChI
InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9-
InChIKey
FBWMYSQUTZRHAT-HZJYTTRNSA-N
Chemical Structure
2D Structure
2D structure of Linoleoyl chloride
CAS: 7459-33-8
CID: 9817754
Formula: C18H31ClO
MW: 298.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.9
XLogP37.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass298.2063433
Monoisotopic Mass298.2063433
Topological Polar Surface Area17.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes