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1-Chlorooctadecane

CAT: 0572-TRC-B592008-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B592008-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3386-33-2
Synonyms
Octadecane, 1-chloro-; 1-Chlorooctadecane; 1-Octadecyl chloride; NSC 5543; Octadecyl chloride; n-Octadecyl chloride
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
CCCCCCCCCCCCCCCCCCCl
Molecular Formula
C18 H37 Cl
Molecular Weight
288.94
InChI
InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
Additionnal Information
IUPAC name: 1-chlorooctadecane
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Chlorooctadecane
CAS Number3386-33-2
PubChem CID18815
IUPAC Name1-chlorooctadecane
Molecular FormulaC18H37Cl
Molecular Weight288.9
XLogP10.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count16
Heavy Atom Count19
Formal Charge0
Complexity145
SMILES
CCCCCCCCCCCCCCCCCCCl
InChI
InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey
VUQPJRPDRDVQMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chlorooctadecane
CAS: 3386-33-2
CID: 18815
Formula: C18H37Cl
MW: 288.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.9
XLogP310.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count16
Exact Mass288.2583789
Monoisotopic Mass288.2583789
Topological Polar Surface Area0 Ų
Heavy Atom Count19
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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