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4- (2-Bromoethoxy) benzaldehyde

CAT: 0804-HY-W080379Size: 1 EachDry Ice: NoHazardous: No
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Description
4- (2-Bromoethoxy) benzaldehyde is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
52191-15-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Purity
99.92
Smiles
O=CC1=CC=C(OCCBr)C=C1
Molecular Formula
C9H9BrO2
Molecular Weight
229.07
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

4-(2-Bromoethoxy)Benzaldehyde
CAS Number52191-15-8
PubChem CID262706
IUPAC Name4-(2-bromoethoxy)benzaldehyde
Molecular FormulaC9H9BrO2
Molecular Weight229.07
XLogP2.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity130
SMILES
C1=CC(=CC=C1C=O)OCCBr
InChI
InChI=1S/C9H9BrO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
InChIKey
XFHTVCMRNSBQCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Bromoethoxy)Benzaldehyde
CAS: 52191-15-8
CID: 262706
Formula: C9H9BrO2
MW: 229.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.07
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass227.97859
Monoisotopic Mass227.97859
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
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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CatalogName
OR32620-012- (2-Bromoethoxy) benzaldehyde
GTR19276954-014- (2-Bromoethoxy) benzaldehyde
428541-014- (2-Bromoethoxy) benzaldehyde-d4
TRC-B686694-100MG4-(2-Bromoethoxy)benzaldehyde-d4
1031160 5002-Chloro Benzaldehyde (o-Chloro benzaldehyde)
GEA02070-012- (Methoxymethyl) benzaldehyde
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