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Bromoethane-D5

CAT: 1299-RG-P022561-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-P022561-04Size:100 mg
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CAS Number
3675-63-6
Synonyms
1-bromoethane-1,1,2,2,2-d5
Molecular Formula
C2D5Br
Molecular Weight
114
Product Name Synonym
1-bromoethane-1,1,2,2,2-d5

Chemical Information

Bromoethane-[2H5]
CAS Number3675-63-6
PubChem CID2733136
IUPAC Name1-bromo-1,1,2,2,2-pentadeuterioethane
Molecular FormulaC2H5Br
Molecular Weight114.00
XLogP1.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count3
Formal Charge0
Complexity2
SMILES
[2H]C([2H])([2H])C([2H])([2H])Br
InChI
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3/i1D3,2D2
InChIKey
RDHPKYGYEGBMSE-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of Bromoethane-[2H5]
CAS: 3675-63-6
CID: 2733136
Formula: C2H5Br
MW: 114.00
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight114.00
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass112.98885
Monoisotopic Mass112.98885
Topological Polar Surface Area0 Ų
Heavy Atom Count3
Formal Charge0
Complexity2.8
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes