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2-Bromo-1-ethoxynaphthalene

CAT: 0127-OR1096403-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1096403-01Size:250 mg
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CAS Number
108238-18-2
MDL Number
MFCD34758086
Purity
97%
Smiles
C1ccc2c (c1) c (c (cc2) Br) OCC

Chemical Information

2-Bromo-1-ethoxynaphthalene
CAS Number108238-18-2
PubChem CID164892617
IUPAC Name2-bromo-1-ethoxynaphthalene
Molecular FormulaC12H11BrO
Molecular Weight251.12
XLogP4.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity183
SMILES
CCOC1=C(C=CC2=CC=CC=C21)Br
InChI
InChI=1S/C12H11BrO/c1-2-14-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-8H,2H2,1H3
InChIKey
UWQGWYKDZHQKGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-1-ethoxynaphthalene
CAS: 108238-18-2
CID: 164892617
Formula: C12H11BrO
MW: 251.12
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.12
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass249.99933
Monoisotopic Mass249.99933
Topological Polar Surface Area9.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity183
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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