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Arachidonoyl Chloride

CAT: 0931-T85246-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T85246-01Size:10 mg
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CAS Number
57303-04-5
Target
Others
Related Pathways
Others
Bioactivity
Arachidonoyl chloride, a derivative of arachidonic acid, serves as an intermediate in synthesizing arachidonic acid derivatives.
Smiles
C(=C\C/C=C\C/C=C\CCCCC)\C/C=C\CCCC(Cl)=O
Molecular Formula
C20H31ClO
Molecular Weight
322.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arachidonoyl chloride
CAS Number57303-04-5
PubChem CID11727039
IUPAC Name(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl chloride
Molecular FormulaC20H31ClO
Molecular Weight322.9
XLogP7.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Heavy Atom Count22
Formal Charge0
Complexity364
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl
InChI
InChI=1S/C20H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
NTBLHFFUSJRJQO-DOFZRALJSA-N
Chemical Structure
2D Structure
2D structure of Arachidonoyl chloride
CAS: 57303-04-5
CID: 11727039
Formula: C20H31ClO
MW: 322.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.9
XLogP37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass322.2063433
Monoisotopic Mass322.2063433
Topological Polar Surface Area17.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity364
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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