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4-Fluorophenyl Methyl Sulfone

CAT: 0572-TRC-F595500-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F595500-500MGSize:500 mg
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CAS Number
455-15-2
Hazard Statement
Harmful if swallowed
Smiles
CS(=O)(=O)c1ccc(F)cc1
Molecular Formula
C7 H7 F O2 S
Molecular Weight
174.19
InChI
InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
Additionnal Information
IUPAC name: 1-fluoro-4-methylsulfonylbenzene
Shipping Conditions
Room Temperature

Chemical Information

1-Fluoro-4-(methylsulphonyl)benzene
CAS Number455-15-2
PubChem CID67994
IUPAC Name1-fluoro-4-methylsulfonylbenzene
Molecular FormulaC7H7FO2S
Molecular Weight174.19
XLogP0.5
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity209
SMILES
CS(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
DPJHZJGAGIWXTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Fluoro-4-(methylsulphonyl)benzene
CAS: 455-15-2
CID: 67994
Formula: C7H7FO2S
MW: 174.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.19
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass174.01507880
Monoisotopic Mass174.01507880
Topological Polar Surface Area42.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity209
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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276374-014-Fluorophenyl methyl sulfone
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418076-012-Fluorophenyl Methyl Sulfone
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sc-3231484-Fluoronaphthyl methyl sulfone
CS-ED-003234-chlorobenzyl methyl sulfone
sc-2834062,4-Difluorophenyl methyl sulfone
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