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N-Tosylpyrrole

CAT: 0572-TRC-T686100-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T686100-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17639-64-4
Synonyms
1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole; 1-(p-Tolylsulfonyl)-pyrrole; 1-(4-Methylphenylsulfonyl)pyrrole; 1-(p-Toluenesulfonyl)-1H-pyrrole; 1-(p-Tolylsulfonyl)-1H-pyrrole; 1-(p-Tolylsulfonyl)pyrrole; 1-(p-Tosyl)-1H-pyrrole; 1-Tosylpyrrole; 1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole; N-Tosylpyrrole; N-p-Toluenesulfonylpyrrole
Hazard Statement
No Data Available
Smiles
Cc1ccc(cc1)S(=O)(=O)n2cccc2
Molecular Formula
C11H11NO2S
Molecular Weight
221.28
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Tosylpyrrole
CAS Number17639-64-4
PubChem CID640087
IUPAC Name1-(4-methylphenyl)sulfonylpyrrole
Molecular FormulaC11H11NO2S
Molecular Weight221.28
XLogP2.3
Topological Polar Surface Area47.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity293
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2
InChI
InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3
InChIKey
OXWIEWFMRVJGNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Tosylpyrrole
CAS: 17639-64-4
CID: 640087
Formula: C11H11NO2S
MW: 221.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.28
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass221.05104977
Monoisotopic Mass221.05104977
Topological Polar Surface Area47.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity293
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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