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

CAT: 1266-JH639261Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH639261Size:1 Each
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CAS Number
154825-97-5
UN Code
UN 3382
Hazard Statement
Xi
Stability
Stable. Incompatible with strong oxidizing agents.
Molecular Formula
C11H13BrO2
Molecular Weight
257.12
Product Name Synonym
Methyl 2- (4-bromophenyl) -2-methylpropanoate
Physical Properties
Colourless Oil
Hazardous Class
6.1
Safety Statements
S26-S37/39
Density
1.337
Flash Point
129oC
RIDADR
UN 3382
Melting Point
38-43oC

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
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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
TRC-M294390-5GMethyl 2-(4-Bromophenyl)-2,2-dimethylacetate
sc-211820Methyl 2- (4-Bromophenyl) -2,2-dimethylacetate
ZEA57393-01Methyl 2- (4-bromophenyl) -2-chloroacetate
HCA69928Methyl 2- (4-bromophenyl) -2-oxoacetate
454736-01Methyl 2- (4-bromophenyl) -2-cyanoacetate
CFA70920-01Methyl 2- (4-bromophenyl) -2-hydroxyacetate
PKA88199-01Methyl 2- (4-bromophenyl) -2-diazoacetate
sc-353900Methyl 4- (2-bromophenyl) -2,4-dioxobutanoate
XQB15594-01Methyl 2- (4-bromophenyl) -2,2-difluoroacetate
FEB24751-01(4-Bromophenyl) methyl 2-hydroxybenzoate

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