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Bromoacetic Acid-d3

CAT: 0572-TRC-B679081-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B679081-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14341-48-1
Hazard Statement
Toxic if swallowed; UN number: UN3425; Packing Group: II
Purity
>95% (HPLC)
Smiles
[2H]OC(=O)C([2H])([2H])Br
Molecular Formula
C2 D3 Br O2
Molecular Weight
141.97
InChI
InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i1D2/hD
Additionnal Information
IUPAC name: deuterio 2-bromo-2,2-dideuterio-acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Bromoacetic acid-d3
CAS Number14341-48-1
PubChem CID12229903
IUPAC Namedeuterio 2-bromo-2,2-dideuterioacetate
Molecular FormulaC2H3BrO2
Molecular Weight141.97
XLogP0.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity42
SMILES
[2H]C([2H])(C(=O)O[2H])Br
InChI
InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i1D2/hD
InChIKey
KDPAWGWELVVRCH-RIAYTAFFSA-N
Chemical Structure
2D Structure
2D structure of Bromoacetic acid-d3
CAS: 14341-48-1
CID: 12229903
Formula: C2H3BrO2
MW: 141.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.97
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass140.95047
Monoisotopic Mass140.95047
Topological Polar Surface Area37.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity42.9
Isotope Atom Count3
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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