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8-Chlorooctan-1-ol

CAT: 0013-GTR19276207-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276207-01Size:50 mg
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Description
8-Chlorooctan-1-ol serves as a PROTAC linker and is utilized in the synthesis of PROTAC molecules.
CAS Number
23144-52-7
Smiles
ClCCCCCCCCO
Molecular Formula
C8H17ClO
Molecular Weight
164.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Octanol, 8-chloro-
CAS Number23144-52-7
PubChem CID90012
IUPAC Name8-chlorooctan-1-ol
Molecular FormulaC8H17ClO
Molecular Weight164.67
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count10
Formal Charge0
Complexity57
SMILES
C(CCCCCl)CCCO
InChI
InChI=1S/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
InChIKey
YDFAJMDFCCJZSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Octanol, 8-chloro-
CAS: 23144-52-7
CID: 90012
Formula: C8H17ClO
MW: 164.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.67
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass164.0967929
Monoisotopic Mass164.0967929
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity57.2
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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