| CAS Number | 1036479-03-4 |
| Catalog Number | AG00HA4Y |
| Chemical Name | 1-(4-Cyanophenyl)-N,N-dimethylmethanesulfonamide |
| IUPAC Name | 1-(4-cyanophenyl)-N,N-dimethylmethanesulfonamide |
| InChI | InChI=1S/C10H12N2O2S/c1-12(2)15(13,14)8-10-5-3-9(7-11)4-6-10/h3-6H,8H2,1-2H3 |
| InChI Key | JSYGTIUQMVPZAG-UHFFFAOYSA-N |
| MDL Number | MFCD11119471 |
| Molecular Formula | C10H12N2O2S |
| Molecular Weight | 224.2795 |
| SMILES | O=S(CC1=CC=C(C#N)C=C1)(N(C)C)=O |
| Synonyms | 1-(4-cyanophenyl)-N,N-dimethylmethanesulfonamide,
1036479-03-4,
ZINC21008846,
AKOS009084181,
AM90483,
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| Complexity | 339 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.278g/mol |
| Monoisotopic Mass | 224.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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