| CAS Number | 1041567-41-2 |
| Catalog Number | AG00HAAQ(AGN-PC-0WRAFM) |
| Chemical Name | 1-(4-Cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide |
| IUPAC Name | 1-(4-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide |
| InChI | InChI=1S/C11H14N2O3S/c1-16-7-6-13-17(14,15)9-11-4-2-10(8-12)3-5-11/h2-5,13H,6-7,9H2,1H3 |
| InChI Key | DRMZIWPMKAEIAZ-UHFFFAOYSA-N |
| MDL Number | MFCD11119859 |
| Molecular Formula | C11H14N2O3S |
| Molecular Weight | 254.3055 |
| SMILES | COCCNS(=O)(=O)Cc1ccc(cc1)C#N |
| Synonyms | 1-(4-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide,
1041567-41-2,
AKOS009110595,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.304g/mol |
| Monoisotopic Mass | 254.073g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 87.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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