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1-Bromo-2-methoxynaphthalene

CAT: 1596-AR-N01113-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01113-01Size:10 Units
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CAS Number
3401-47-6
Synonyms
1-bromo-2-methoxynaphthalene; 1-Bromo-2-methoxynaphthalene; 1-Bromo-2-naphthyl methyl ether; 2-Methoxy-1-bromonaphthalene; NSC 110660
Molecular Formula
C11H9BrO
Molecular Weight
237.1
API Name
Naphthalene

Chemical Information

1-Bromo-2-methoxynaphthalene
CAS Number3401-47-6
PubChem CID72860
IUPAC Name1-bromo-2-methoxynaphthalene
Molecular FormulaC11H9BrO
Molecular Weight237.09
XLogP3.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity171
SMILES
COC1=C(C2=CC=CC=C2C=C1)Br
InChI
InChI=1S/C11H9BrO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
InChIKey
XNIGURFWNPLWJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2-methoxynaphthalene
CAS: 3401-47-6
CID: 72860
Formula: C11H9BrO
MW: 237.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.09
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass235.98368
Monoisotopic Mass235.98368
Topological Polar Surface Area9.2 Ų
Heavy Atom Count13
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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