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2-(Methylsulfonyl)benzamide

CAT: 0572-TRC-M416350-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M416350-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1379153-60-2
Hazard Statement
No Data Available
Smiles
CS(=O)(=O)c1ccccc1C(=O)N
Molecular Formula
C8 H9 N O3 S
Molecular Weight
199.227
InChI
InChI=1S/C8H9NO3S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)
Additionnal Information
IUPAC name: 2-methylsulfonylbenzamide
Shipping Conditions
Room Temperature

Chemical Information

2-(Methylsulfonyl)benzamide
CAS Number1379153-60-2
PubChem CID21950481
IUPAC Name2-methylsulfonylbenzamide
Molecular FormulaC8H9NO3S
Molecular Weight199.23
XLogP0
Topological Polar Surface Area85.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity291
SMILES
CS(=O)(=O)C1=CC=CC=C1C(=O)N
InChI
InChI=1S/C8H9NO3S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
CJKJNTJPOYSDQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methylsulfonyl)benzamide
CAS: 1379153-60-2
CID: 21950481
Formula: C8H9NO3S
MW: 199.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.23
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass199.03031432
Monoisotopic Mass199.03031432
Topological Polar Surface Area85.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity291
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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