| CAS Number | 27350-14-7 |
| Catalog Number | AG00I56P(AGN-PC-0WOHQP) |
| Chemical Name | 1-(2-Cyanophenyl)-N-ethylmethanesulfonamide |
| IUPAC Name | 1-(2-cyanophenyl)-N-ethylmethanesulfonamide |
| InChI | InChI=1S/C10H12N2O2S/c1-2-12-15(13,14)8-10-6-4-3-5-9(10)7-11/h3-6,12H,2,8H2,1H3 |
| InChI Key | WROOJUUEFNWDSO-UHFFFAOYSA-N |
| MDL Number | MFCD11120151 |
| Molecular Formula | C10H12N2O2S |
| Molecular Weight | 224.2795 |
| SMILES | CCNS(=O)(=O)Cc1ccccc1C#N |
| Synonyms | 1-(2-cyanophenyl)-N-ethylmethanesulfonamide,
27350-14-7,
ZINC21014419,
AKOS009053711,
AM100608,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.278g/mol |
| Monoisotopic Mass | 224.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number