| CAS Number | 191868-23-2 |
| Catalog Number | AG00AXMV(AGN-PC-0LWTVF) |
| Chemical Name | 1-(4-cyanophenyl)-N-methylmethanesulfonamide |
| IUPAC Name | 1-(4-cyanophenyl)-N-methylmethanesulfonamide |
| InChI | InChI=1S/C9H10N2O2S/c1-11-14(12,13)7-9-4-2-8(6-10)3-5-9/h2-5,11H,7H2,1H3 |
| InChI Key | NSAYQWWKIGFZQZ-UHFFFAOYSA-N |
| MDL Number | MFCD08271852 |
| Molecular Formula | C9H10N2O2S |
| Molecular Weight | 210.2529 |
| SMILES | CNS(CC1=CC=C(C#N)C=C1)(=O)=O |
| Synonyms | 1-(4-cyanophenyl)-N-methylmethanesulfonamide,
191868-23-2,
AC1OFMN9,
AC1Q41DP,
SCHEMBL8129302,
CTK6I5806,
NSAYQWWKIGFZQZ-UHFFFAOYSA-N,
ZINC4219216,
MFCD08271852,
AKOS009081300,
MCULE-6456540767,
NE60980,
AM100449,
4-Cyano-N-methyl-benzenemethanesulphonamide,
EN300-23621,
Z165166026,
ZINC04219216,
CID7131960,
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| Complexity | 315 |
| 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