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Methyl a-Bromo-2-chlorophenylacetate

CAT: 0572-TRC-M294210-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M294210-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85259-19-4
Hazard Statement
No Data Available
Smiles
COC(=O)C(Br)c1ccccc1Cl
Molecular Formula
C9 H8 Br Cl O2
Molecular Weight
263.52
InChI
InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3
Additionnal Information
IUPAC name: methyl 2-bromo-2-(2-chlorophenyl)acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl alpha-bromo-2-chlorophenylacetate
CAS Number85259-19-4
PubChem CID10730282
IUPAC Namemethyl 2-bromo-2-(2-chlorophenyl)acetate
Molecular FormulaC9H8BrClO2
Molecular Weight263.51
XLogP3.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
COC(=O)C(C1=CC=CC=C1Cl)Br
InChI
InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3
InChIKey
HMBUCZUZRQQJQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl alpha-bromo-2-chlorophenylacetate
CAS: 85259-19-4
CID: 10730282
Formula: C9H8BrClO2
MW: 263.51
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.51
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass261.93962
Monoisotopic Mass261.93962
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
016618Methyl α-Bromo-2-chlorophenylacetate
OR1013888Methyl alpha-Bromo-2-Chlorophenylacetate
454858-01Methyl 2-bromo-4-chlorophenylacetate
454917-01Methyl 2-chlorophenylacetate
OR1002837-01Methyl 3-Bromo-4-chlorophenylacetate
sc-482413Methyl alpha-bromo-4-chlorophenylacetate
283472-01Methyl 4-chlorophenylacetate
283474-01Methyl 3-chlorophenylacetate
M14360-01Methyl a-chlorophenylacetate 95%
sc-484429Methyl p-methyl-α-chlorophenylacetate

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