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3- (4-Bromophenyl) propanoic acid

CAT: 0804-HY-32167-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-32167-01Size:1 g
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Description
3- (4-Bromophenyl) propanoic acid is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
1643-30-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Purity
99.92
Smiles
O=C(O)CCC1=CC=C(Br)C=C1
Molecular Formula
C9H9BrO2
Molecular Weight
229.07
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)propionic acid

structure in first source

CAS Number1643-30-7
PubChem CID2735609
IUPAC Name3-(4-bromophenyl)propanoic acid
Molecular FormulaC9H9BrO2
Molecular Weight229.07
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
C1=CC(=CC=C1CCC(=O)O)Br
InChI
InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChIKey
NCSTWHYWOVZDOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromophenyl)propionic acid
CAS: 1643-30-7
CID: 2735609
Formula: C9H9BrO2
MW: 229.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.07
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass227.97859
Monoisotopic Mass227.97859
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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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