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Bromoacetic Acid-d2

CAT: 0572-TRC-B679082-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B679082-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41830-86-8
Hazard Statement
Toxic if swallowed; UN number: UN3425; Packing Group: II
Purity
>95% (GC)
Smiles
[2H]C([2H])(Br)C(=O)O
Molecular Formula
C2 D2 H Br O2
Molecular Weight
140.96
InChI
InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i1D2
Additionnal Information
IUPAC name: 2-bromo-2,2-dideuterio-acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Bromoacetic Acid-d2
CAS Number41830-86-8
PubChem CID166522600
IUPAC Name2-bromo-2,2-dideuterioacetic acid
Molecular FormulaC2H3BrO2
Molecular Weight140.96
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)Br
InChI
InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i1D2
InChIKey
KDPAWGWELVVRCH-DICFDUPASA-N
Chemical Structure
2D Structure
2D structure of Bromoacetic Acid-d2
CAS: 41830-86-8
CID: 166522600
Formula: C2H3BrO2
MW: 140.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.96
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass139.94420
Monoisotopic Mass139.94420
Topological Polar Surface Area37.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity42.9
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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