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2- (4-Methoxyphenyl) ethyl bromide

CAT: 0926-PAA42564-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-PAA42564-01Size:25 g
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CAS Number
14425-64-0
MDL Number
MFCD07369786
Smiles
COC1=CC=C (C=C1) CCBr
Molecular Formula
C9H11BrO
Molecular Weight
215.09 g/mol
Controlled
No

Chemical Information

1-(2-Bromoethyl)-4-methoxybenzene
CAS Number14425-64-0
PubChem CID84427
IUPAC Name1-(2-bromoethyl)-4-methoxybenzene
Molecular FormulaC9H11BrO
Molecular Weight215.09
XLogP3.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity97
SMILES
COC1=CC=C(C=C1)CCBr
InChI
InChI=1S/C9H11BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3
InChIKey
OXHPTABOQVHKLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Bromoethyl)-4-methoxybenzene
CAS: 14425-64-0
CID: 84427
Formula: C9H11BrO
MW: 215.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight215.09
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass213.99933
Monoisotopic Mass213.99933
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity97.7
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