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1-Chlorotridecane

CAT: 0024-sc-487552Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-487552Size:5 g
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CAS Number
822-13-9

Chemical Information

Tridecane, 1-chloro-
CAS Number822-13-9
PubChem CID13193
IUPAC Name1-chlorotridecane
Molecular FormulaC13H27Cl
Molecular Weight218.80
XLogP7.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count11
Heavy Atom Count14
Formal Charge0
Complexity91
SMILES
CCCCCCCCCCCCCCl
InChI
InChI=1S/C13H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
InChIKey
ASZMYJSJEOGSBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tridecane, 1-chloro-
CAS: 822-13-9
CID: 13193
Formula: C13H27Cl
MW: 218.80
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.80
XLogP37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count11
Exact Mass218.1801286
Monoisotopic Mass218.1801286
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity91.2
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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