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3- (4-Bromophenyl) propan-1-ol

CAT: 0013-GTR19275297-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275297-01Size:10 mg
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Description
3- (4-Bromophenyl) propan-1-ol is a PROTAC linker, used for synthesizing PROTAC molecules.
CAS Number
25574-11-2
Smiles
BrC1=CC=C (C=C1) CCCO
Molecular Formula
C9H11BrO
Molecular Weight
215.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(4-Bromophenyl)propan-1-ol
CAS Number25574-11-2
PubChem CID10560614
IUPAC Name3-(4-bromophenyl)propan-1-ol
Molecular FormulaC9H11BrO
Molecular Weight215.09
XLogP2.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity97
SMILES
C1=CC(=CC=C1CCCO)Br
InChI
InChI=1S/C9H11BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
InChIKey
WODKXGCVVOOEIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromophenyl)propan-1-ol
CAS: 25574-11-2
CID: 10560614
Formula: C9H11BrO
MW: 215.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.09
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass213.99933
Monoisotopic Mass213.99933
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity97.7
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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