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Bis(2-nitrophenyl) Sulfone

CAT: 0572-TRC-B507905-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B507905-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14665-52-2
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)c1ccccc1S(=O)(=O)c2ccccc2[N+](=O)[O-]
Molecular Formula
C12 H8 N2 O6 S
Molecular Weight
308.267
InChI
InChI=1S/C12H8N2O6S/c15-13(16)9-5-1-3-7-11(9)21(19,20)12-8-4-2-6-10(12)14(17)18/h1-8H
Additionnal Information
IUPAC name: 1-nitro-2-(2-nitrophenyl)sulfonylbenzene
Shipping Conditions
Room Temperature

Chemical Information

Bis(2-nitrophenyl)sulfone
CAS Number14665-52-2
PubChem CID365388
IUPAC Name1-nitro-2-(2-nitrophenyl)sulfonylbenzene
Molecular FormulaC12H8N2O6S
Molecular Weight308.27
XLogP2.4
Topological Polar Surface Area134
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity463
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O6S/c15-13(16)9-5-1-3-7-11(9)21(19,20)12-8-4-2-6-10(12)14(17)18/h1-8H
InChIKey
IHZVFZOUXUNSPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(2-nitrophenyl)sulfone
CAS: 14665-52-2
CID: 365388
Formula: C12H8N2O6S
MW: 308.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.27
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass308.01030715
Monoisotopic Mass308.01030715
Topological Polar Surface Area134 Ų
Heavy Atom Count21
Formal Charge0
Complexity463
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

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442822-01Bis (2-nitrophenyl) Sulfone
OR1029571-01Bis (4-Nitrophenyl) Sulfone
sc-2306042-Nitrophenyl phenyl sulfone
FB18676-01Bis (2-mercaptoethyl) sulfone
AR-D01200-01Bis (2-aminophenyl) Sulfone
262651-01Bis (2-acetylmercaptoethyl) sulfone
MBS6062916-01Bis(2-acetylmercaptoethyl) sulfone
263947-01Bis (2-hydroxyethyl) sulfone
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