2-Bromoethanesulfonic acid

CAT: 0063-29949409Size: 5 gDry Ice: NoHazardous: No

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CAT#:0063-29949409Size:5 g

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CAS Number

26978-65-4

Chemical Information

Bromoethanesulfonic acid

RN given refers to parent cpd; a methanogenic inhibitor

CAS Number	26978-65-4
PubChem CID	33662
IUPAC Name	2-bromoethanesulfonic acid
Molecular Formula	C2H5BrO3S
Molecular Weight	189.03
XLogP	-0.1
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	120

SMILES

C(CBr)S(=O)(=O)O

InChI

InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)

InChIKey

OQFSYHWITGFERZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26978-65-4

CID: 33662

Formula: C2H5BrO3S

MW: 189.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.03
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	187.91428
Monoisotopic Mass	187.91428
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	120
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BBA97865-01	2-Bromoethanesulfonic acid
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004775	2-Bromoethanesulfonic Acid Sodium Salt discontinued . See 263200
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