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5-Bromo-2-ethoxypyridine

CAT: 0127-OR13065Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR13065Size:5 g
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CAS Number
55849-30-4
MDL Number
MFCD00234311
Purity
97%
Smiles
CCOc1ccc(Br)cn1

Chemical Information

5-Bromo-2-ethoxypyridine
CAS Number55849-30-4
PubChem CID817237
IUPAC Name5-bromo-2-ethoxypyridine
Molecular FormulaC7H8BrNO
Molecular Weight202.05
XLogP2.2
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
CCOC1=NC=C(C=C1)Br
InChI
InChI=1S/C7H8BrNO/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
InChIKey
WQXZKMUZWPUZGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-ethoxypyridine
CAS: 55849-30-4
CID: 817237
Formula: C7H8BrNO
MW: 202.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight202.05
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass200.97893
Monoisotopic Mass200.97893
Topological Polar Surface Area22.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.6
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