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(4-Bromophenoxy) acetonitrile

CAT: 0127-OR30749Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
39489-67-3
MDL Number
MFCD00464958
Purity
=95%
Smiles
Brc1ccc(OCC#N)cc1

Chemical Information

(4-Bromophenoxy)acetonitrile
CAS Number39489-67-3
PubChem CID598823
IUPAC Name2-(4-bromophenoxy)acetonitrile
Molecular FormulaC8H6BrNO
Molecular Weight212.04
XLogP2.4
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=CC(=CC=C1OCC#N)Br
InChI
InChI=1S/C8H6BrNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChIKey
PMDDXFGYBKIPKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Bromophenoxy)acetonitrile
CAS: 39489-67-3
CID: 598823
Formula: C8H6BrNO
MW: 212.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.04
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass210.96328
Monoisotopic Mass210.96328
Topological Polar Surface Area33 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
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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Alternative Products

CatalogName
413643-012- (4-Bromophenoxy) acetonitrile
413080-012- (2-Bromophenoxy) acetonitrile
413371-012- (3-Bromophenoxy) acetonitrile
sc-232502(4-Bromobenzoyl) acetonitrile
GTR19251946-01(4-Fluorophenylthio) acetonitrile
FF132120-01(4-Formylphenoxy) acetonitrile
sc-277418(4-Hydrazinophenyl) acetonitrile
sc-226600(4-Chlorophenyl) acetonitrile
sc-349555(4-isopropoxyphenyl) acetonitrile
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