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

CAT: 0804-HY-32169-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-32169-01Size:1 g
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Description
3- (4-Bromophenyl) propan-1-ol is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
25574-11-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Purity
99.98
Smiles
BrC1=CC=C(C=C1)CCCO
Molecular Formula
C9H11BrO
Molecular Weight
215.09
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

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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