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2-bromo-7-ethoxynaphthalene

CAT: 0127-OR1098382-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1098382-01Size:250 mg
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CAS Number
627527-21-3
MDL Number
MFCD17012562
Purity
97%
Smiles
C1 (ccc2c (c1) cc (cc2) OCC) Br

Chemical Information

2-Bromo-7-ethoxynaphthalene
CAS Number627527-21-3
PubChem CID22240149
IUPAC Name2-bromo-7-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=CC2=C(C=C1)C=CC(=C2)Br
InChI
InChI=1S/C12H11BrO/c1-2-14-12-6-4-9-3-5-11(13)7-10(9)8-12/h3-8H,2H2,1H3
InChIKey
NVVZLTAEKNTMLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-7-ethoxynaphthalene
CAS: 627527-21-3
CID: 22240149
Formula: C12H11BrO
MW: 251.12
Interactive 3D Structure
Loading 3D structure...
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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