| CAS Number | 51045-35-3 |
| Catalog Number | AG00DRFA(AGN-PC-0MMYFX) |
| Chemical Name | 1-(2-cyanophenyl)-N-methylmethanesulfonamide |
| IUPAC Name | 1-(2-cyanophenyl)-N-methylmethanesulfonamide |
| InChI | InChI=1S/C9H10N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,7H2,1H3 |
| InChI Key | WNDNPRAXAXKVGM-UHFFFAOYSA-N |
| MDL Number | MFCD07847853 |
| Molecular Formula | C9H10N2O2S |
| Molecular Weight | 210.2529 |
| SMILES | CNS(CC1=C(C#N)C=CC=C1)(=O)=O |
| Synonyms | 1-(2-cyanophenyl)-N-methylmethanesulfonamide,
51045-35-3,
EN300-23900,
AC1PK8O9,
AC1Q41DN,
SCHEMBL10154005,
CTK4J3538,
DTXSID50429308,
ZINC7978535,
MFCD07847853,
AKOS008067151,
FCH4677659,
MCULE-7410742018,
NE56732,
ACM51045353,
AM100895,
BBV-50205891,
ZINC07978535,
CID9106555,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.251g/mol |
| Monoisotopic Mass | 210.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number