Products for Research Use Only
RegisterLogin

3- (4-Bromophenoxy) propanenitrile

CAT: 0804-HY-W105838Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-W105838Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
3- (4-Bromophenoxy) propanenitrile is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
118449-57-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H332-H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
N#CCCOC1=CC=C(Br)C=C1
Molecular Formula
C9H8BrNO
Molecular Weight
226.07
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

3-(4-Bromophenoxy)propanenitrile
CAS Number118449-57-3
PubChem CID7020697
IUPAC Name3-(4-bromophenoxy)propanenitrile
Molecular FormulaC9H8BrNO
Molecular Weight226.07
XLogP2.3
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
C1=CC(=CC=C1OCCC#N)Br
InChI
InChI=1S/C9H8BrNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChIKey
JXVPKJBXTXXLPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromophenoxy)propanenitrile
CAS: 118449-57-3
CID: 7020697
Formula: C9H8BrNO
MW: 226.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.07
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass224.97893
Monoisotopic Mass224.97893
Topological Polar Surface Area33 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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

Related Products

CatalogName
HY-44408-012- (4-Bromophenoxy) ethanol
HY-W102345R2- (3-Benzoylphenyl) propanenitrile (Standard)
HY-W090887Tert-Butyl 4- (4-bromophenoxy) piperidine-1-carboxylate
HY-W703872-012- (4-Bromophenoxy) -N, N-dimethylethanamine-d6
HY-W699711-013- ((Methyl-d3) (pentyl) amino) propanenitrile
HY-W721850-012-Methyl-2-[ (trimethylsilyl) oxy]propanenitrile-d6
HY-W110798-01Bromophenol blue indicator (3.0-4.6)
HY-W009390S-01DL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
HY-W594851-01Biphenyl-3′,3,4,4′-tetrol
HY-W007625-012-Amino-4-bromophenol

Alternative Products

CatalogName
GTR19275755-013- (4-Bromophenoxy) propanenitrile
422391-013- (2-Bromophenoxy) propanenitrile
XZB47436-012- (4-Formylphenoxy) propanenitrile
BAC04234-012- (4-Aminobenzenesulfonyl) propanenitrile
CAA18488-012- (4-Chlorophenyl) propanenitrile
PC1006989-013- (4-Fluorophenyl) propanenitrile
OR290953- (4-Chlorophenoxy) propanenitrile
OR9625393- (4-Methoxyphenoxy) propanenitrile
KAA13991-013- (4-Aminophenyl) propanenitrile
MTA63749-012- (4-Methanesulfonylphenyl) propanenitrile

Popular Products