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(Phenyl sulfone)-d10

CAT: 0572-TRC-P218851-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P218851-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21885-27-8
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Smiles
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])S(=O)(=O)c2c([2H])c([2H])c([2H])c([2H])c2[2H]
Molecular Formula
C12 D10 O2 S
Molecular Weight
228.333
InChI
InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
Additionnal Information
IUPAC name: 1,2,3,4,5-pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)sulfonylbenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2,3,4,5-Pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)sulfonylbenzene
CAS Number21885-27-8
PubChem CID169445382
IUPAC Name1,2,3,4,5-pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)sulfonylbenzene
Molecular FormulaC12H10O2S
Molecular Weight228.33
XLogP2.4
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity253
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])S(=O)(=O)C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKey
KZTYYGOKRVBIMI-LHNTUAQVSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3,4,5-Pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)sulfonylbenzene
CAS: 21885-27-8
CID: 169445382
Formula: C12H10O2S
MW: 228.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.33
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass228.10291819
Monoisotopic Mass228.10291819
Topological Polar Surface Area42.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity253
Isotope Atom Count10
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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Alternative Products

CatalogName
RG-A261372-01Phenyl Sulfone; Diphenyl Sulfone
P15830-01Phenyl sulfone
288451-01Phenyl Trimethylsilylmethyl Sulfone
sc-396408ADifluoromethyl phenyl sulfone
sc-253261Phenyl vinyl sulfone
PC905535-01Fluoromethyl phenyl sulfone
sc-252592Chloromethyl phenyl sulfone
235499-01Benzyl phenyl sulfone
239776-01Methyl phenyl sulfone
sc-474890Phenyl tribromomethyl sulfone

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