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5-bromo-2-phenethoxypyridine

CAT: 0127-OR1081518-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1081518-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1247483-13-1
MDL Number
MFCD14652044
Purity
95%
Smiles
C1cc (ccc1) CCOc1ccc (cn1) Br

Chemical Information

5-Bromo-2-phenethoxypyridine
CAS Number1247483-13-1
PubChem CID175470955
IUPAC Name5-bromo-2-(2-phenylethoxy)pyridine
Molecular FormulaC13H12BrNO
Molecular Weight278.14
XLogP3.8
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity194
SMILES
C1=CC=C(C=C1)CCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C13H12BrNO/c14-12-6-7-13(15-10-12)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKey
BLVXVUMKIVXGPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-phenethoxypyridine
CAS: 1247483-13-1
CID: 175470955
Formula: C13H12BrNO
MW: 278.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.14
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass277.01023
Monoisotopic Mass277.01023
Topological Polar Surface Area22.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity194
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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