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Methyl bromoacetate-2,2-D2

CAT: 0024-sc-228568Size: 1 gDry Ice: NoHazardous: No
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CAS Number
163886-16-6

Chemical Information

Methyl bromo(~2~H_2_)acetate
CAS Number163886-16-6
PubChem CID16213462
IUPAC Namemethyl 2-bromo-2,2-dideuterioacetate
Molecular FormulaC3H5BrO2
Molecular Weight154.99
XLogP0.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity52
SMILES
[2H]C([2H])(C(=O)OC)Br
InChI
InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3/i2D2
InChIKey
YDCHPLOFQATIDS-CBTSVUPCSA-N
Chemical Structure
2D Structure
2D structure of Methyl bromo(~2~H_2_)acetate
CAS: 163886-16-6
CID: 16213462
Formula: C3H5BrO2
MW: 154.99
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.99
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass153.95985
Monoisotopic Mass153.95985
Topological Polar Surface Area26.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity52.8
Isotope Atom Count2
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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