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N-p-Tosyl-Acetamide

CAT: 1596-AR-A05331-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A05331-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1888-33-1
Molecular Formula
C9H11NO3S
Molecular Weight
213.25
API Name
Acetamide

Chemical Information

N-((4-Methylphenyl)sulfonyl)acetamide
CAS Number1888-33-1
PubChem CID286222
IUPAC NameN-(4-methylphenyl)sulfonylacetamide
Molecular FormulaC9H11NO3S
Molecular Weight213.26
XLogP1.1
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity297
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C
InChI
InChI=1S/C9H11NO3S/c1-7-3-5-9(6-4-7)14(12,13)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey
BVJCFOOIOSGZFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((4-Methylphenyl)sulfonyl)acetamide
CAS: 1888-33-1
CID: 286222
Formula: C9H11NO3S
MW: 213.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight213.26
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass213.04596439
Monoisotopic Mass213.04596439
Topological Polar Surface Area71.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity297
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