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Sodium 2-bromoethanesulfonate

CAT: 0013-GTR19245442-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245442-01Size:25 g
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Description
Sodium 2-bromoethanesulfonate is utilized as a biomaterial or organic compound for research in the life sciences.
CAS Number
4263-52-9
Smiles
BrCCS (=O) (O[Na]) =O
Molecular Formula
C2H4BrNaO3S
Molecular Weight
211.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Bromoethanesulfonic acid, sodium salt
CAS Number4263-52-9
PubChem CID23666797
IUPAC Namesodium 2-bromoethanesulfonate
Molecular FormulaC2H4BrNaO3S
Molecular Weight211.01
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity125
SMILES
C(CBr)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C2H5BrO3S.Na/c3-1-2-7(4,5)6;/h1-2H2,(H,4,5,6);/q;+1/p-1
InChIKey
HNFOAHXBHLWKNF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-Bromoethanesulfonic acid, sodium salt
CAS: 4263-52-9
CID: 23666797
Formula: C2H4BrNaO3S
MW: 211.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.01
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass209.89622
Monoisotopic Mass209.89622
Topological Polar Surface Area65.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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