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6-Bromohexanoyl Chloride

CAT: 0013-GTR19275965-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275965-01Size:50 mg
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Description
6-Bromohexanoyl Chloride is a PROTAC linker used in the synthesis of PROTAC molecules.
CAS Number
22809-37-6
Smiles
O=C (Cl) CCCCCBr
Molecular Formula
C6H10BrClO
Molecular Weight
213.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Bromohexanoyl chloride
CAS Number22809-37-6
PubChem CID89848
IUPAC Name6-bromohexanoyl chloride
Molecular FormulaC6H10BrClO
Molecular Weight213.50
XLogP2.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
C(CCC(=O)Cl)CCBr
InChI
InChI=1S/C6H10BrClO/c7-5-3-1-2-4-6(8)9/h1-5H2
InChIKey
HBPVGJGBRWIVSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromohexanoyl chloride
CAS: 22809-37-6
CID: 89848
Formula: C6H10BrClO
MW: 213.50
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.50
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass211.96036
Monoisotopic Mass211.96036
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity85.1
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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