Products for Research Use Only

2-Bromobenzylmethylsulfone

CAT: 0024-sc-321632Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-321632Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
25195-52-2

Chemical Information

1-Bromo-2-((methylsulfonyl)methyl)benzene
CAS Number25195-52-2
PubChem CID2761418
IUPAC Name1-bromo-2-(methylsulfonylmethyl)benzene
Molecular FormulaC8H9BrO2S
Molecular Weight249.13
XLogP1.8
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity230
SMILES
CS(=O)(=O)CC1=CC=CC=C1Br
InChI
InChI=1S/C8H9BrO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKey
BULUABWJXGYTEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2-((methylsulfonyl)methyl)benzene
CAS: 25195-52-2
CID: 2761418
Formula: C8H9BrO2S
MW: 249.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight249.13
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass247.95066
Monoisotopic Mass247.95066
Topological Polar Surface Area42.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes