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Methyl 2-(4-Bromophenyl)-2,2-dimethylacetate

CAT: 0572-TRC-M294390-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M294390-1GSize:1 g
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CAS Number
154825-97-5
Hazard Statement
No Data Available
Smiles
COC(=O)C(C)(C)c1ccc(Br)cc1
Molecular Formula
C11 H13 Br O2
Molecular Weight
257.12
InChI
InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3
Additionnal Information
IUPAC name: methyl 2-(4-bromophenyl)-2-methylpropanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 2-(4-bromophenyl)-2-methylpropanoate

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CAS Number154825-97-5
PubChem CID3651431
IUPAC Namemethyl 2-(4-bromophenyl)-2-methylpropanoate
Molecular FormulaC11H13BrO2
Molecular Weight257.12
XLogP3.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity205
SMILES
CC(C)(C1=CC=C(C=C1)Br)C(=O)OC
InChI
InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey
JTYDXPPFLQSEAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(4-bromophenyl)-2-methylpropanoate
CAS: 154825-97-5
CID: 3651431
Formula: C11H13BrO2
MW: 257.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.12
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass256.00989
Monoisotopic Mass256.00989
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity205
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
sc-211820Methyl 2- (4-Bromophenyl) -2,2-dimethylacetate
MBS6068799-01Methyl 2-(4-Bromophenyl)-2,2-dimethylacetate
sc-353790AMethyl 2-cyano-2,2-dimethylacetate
PEA01901-01Methyl 2-carbamothioyl-2,2-dimethylacetate
XQB15594-01Methyl 2- (4-bromophenyl) -2,2-difluoroacetate
ZEA57393-01Methyl 2- (4-bromophenyl) -2-chloroacetate
HCA69928Methyl 2- (4-bromophenyl) -2-oxoacetate
454736-01Methyl 2- (4-bromophenyl) -2-cyanoacetate
PKA88199-01Methyl 2- (4-bromophenyl) -2-diazoacetate
CFA70920-01Methyl 2- (4-bromophenyl) -2-hydroxyacetate

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