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4-Bromo-2-phenoxypyridine

CAT: 0127-OR1082726Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1353776-73-4
MDL Number
MFCD12827994
Smiles
C1cnc (cc1Br) Oc1ccccc1

Chemical Information

4-Bromo-2-phenoxypyridine
CAS Number1353776-73-4
PubChem CID67971315
IUPAC Name4-bromo-2-phenoxypyridine
Molecular FormulaC11H8BrNO
Molecular Weight250.09
XLogP3.4
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity171
SMILES
C1=CC=C(C=C1)OC2=NC=CC(=C2)Br
InChI
InChI=1S/C11H8BrNO/c12-9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h1-8H
InChIKey
FRKVIISCCFRFDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-phenoxypyridine
CAS: 1353776-73-4
CID: 67971315
Formula: C11H8BrNO
MW: 250.09
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.09
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass248.97893
Monoisotopic Mass248.97893
Topological Polar Surface Area22.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
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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