| CAS Number | 31846-89-6 |
| Catalog Number | AG00I61F(AGN-PC-0WRA9F) |
| Chemical Name | 1-(2-Cyanophenyl)-N-propylmethanesulfonamide |
| IUPAC Name | 1-(2-cyanophenyl)-N-propylmethanesulfonamide |
| InChI | InChI=1S/C11H14N2O2S/c1-2-7-13-16(14,15)9-11-6-4-3-5-10(11)8-12/h3-6,13H,2,7,9H2,1H3 |
| InChI Key | ZPZFCSFHAJGGGU-UHFFFAOYSA-N |
| MDL Number | MFCD11121145 |
| Molecular Formula | C11H14N2O2S |
| Molecular Weight | 238.3061 |
| SMILES | CCCNS(=O)(=O)Cc1ccccc1C#N |
| Synonyms | 1-(2-cyanophenyl)-N-propylmethanesulfonamide,
31846-89-6,
AKOS009053786,
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| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.305g/mol |
| Monoisotopic Mass | 238.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number