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2- (2-Bromoethoxy) Anisole

CAT: 0127-OR1009679-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1009679-01Size:1 g
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CAS Number
4463-59-6
MDL Number
MFCD34601907
Purity
98%
Smiles
COc1ccccc1OCCBr

Chemical Information

1-(2-Bromoethoxy)-2-methoxybenzene

See also: Benzene, 1-(2-bromoethoxy)-2-methoxy- (annotation moved to).

CAS Number4463-59-6
PubChem CID1799099
IUPAC Name1-(2-bromoethoxy)-2-methoxybenzene
Molecular FormulaC9H11BrO2
Molecular Weight231.09
XLogP2.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity119
SMILES
COC1=CC=CC=C1OCCBr
InChI
InChI=1S/C9H11BrO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3
InChIKey
PBRPKYRJVDJZTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Bromoethoxy)-2-methoxybenzene
CAS: 4463-59-6
CID: 1799099
Formula: C9H11BrO2
MW: 231.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.09
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass229.99424
Monoisotopic Mass229.99424
Topological Polar Surface Area18.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity119
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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Alternative Products

CatalogName
TRC-B677943-500MG2-(2-Bromoethoxy)anisole
sc-356341A2- (Trifluoromethoxy) anisole
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