| CAS Number | 1820735-49-6 |
| Catalog Number | AG00I13B |
| Chemical Name | N-(2-Cyanophenyl)-N-isopropylmethanesulfonamide |
| IUPAC Name | N-(2-cyanophenyl)-N-propan-2-ylmethanesulfonamide |
| InChI | InChI=1S/C11H14N2O2S/c1-9(2)13(16(3,14)15)11-7-5-4-6-10(11)8-12/h4-7,9H,1-3H3 |
| InChI Key | MEFBFYPZJLDXPK-UHFFFAOYSA-N |
| MDL Number | MFCD28127187 |
| Molecular Formula | C11H14N2O2S |
| Molecular Weight | 238.3061 |
| SMILES | N#Cc1ccccc1N(S(=O)(=O)C)C(C)C |
| Synonyms | N-(2-Cyanophenyl)-N-isopropylmethanesulfonamide,
1820735-49-6,
ZINC216703003,
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| Complexity | 375 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.305g/mol |
| Monoisotopic Mass | 238.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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