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Methyl 4-Bromophenylacetate

CAT: 0024-sc-211858Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-211858Size:1 g
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CAS Number
41841-16-1

Chemical Information

Methyl 2-(4-bromophenyl)acetate
CAS Number41841-16-1
PubChem CID316783
IUPAC Namemethyl 2-(4-bromophenyl)acetate
Molecular FormulaC9H9BrO2
Molecular Weight229.07
XLogP2.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
COC(=O)CC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H9BrO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKey
QHJOWSXZDCTNQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(4-bromophenyl)acetate
CAS: 41841-16-1
CID: 316783
Formula: C9H9BrO2
MW: 229.07
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.07
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass227.97859
Monoisotopic Mass227.97859
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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
282352-01Methyl 4-bromophenylacetate
456012-01Methyl α-Bromophenylacetate
TRC-M294940-100GMethyl a-Bromophenylacetate
OR3537-01Methyl 3-bromophenylacetate
M12920-01Methyl a-bromophenylacetate 95%
TRC-M294940-5GMethyl Alpha-Bromophenylacetate
OR3229Methyl 2-bromophenylacetate
MBS6071550-01Methyl 4-Bromophenylacetate (4-Bromophenylacetic Acid, Methyl Ester)
OR940897-01Methyl 4-methyl-4-nitropentanoate
OR1013824-01Methyl 4- ((4-Formylphenoxy) Methyl) Benzoate

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