| CAS Number | 1041527-14-3 |
| Catalog Number | AG00HAAK(AGN-PC-0WRA99) |
| Chemical Name | 1-(2-Cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide |
| IUPAC Name | 1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide |
| InChI | InChI=1S/C11H14N2O3S/c1-16-7-6-13-17(14,15)9-11-5-3-2-4-10(11)8-12/h2-5,13H,6-7,9H2,1H3 |
| InChI Key | WKQRZMXDQCNGMM-UHFFFAOYSA-N |
| MDL Number | MFCD11123401 |
| Molecular Formula | C11H14N2O3S |
| Molecular Weight | 254.3055 |
| SMILES | COCCNS(=O)(=O)Cc1ccccc1C#N |
| Synonyms | 1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide,
1041527-14-3,
AKOS009111100,
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| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.072513g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.31g/mol |
| Monoisotopic Mass | 254.072513g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 87.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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