| CAS Number | 1099122-39-0 |
| Catalog Number | AG00HBN3(AGN-PC-0WRA91) |
| Chemical Name | (3-Cyanophenyl)methanesulfonamide |
| IUPAC Name | (3-cyanophenyl)methanesulfonamide |
| InChI | InChI=1S/C8H8N2O2S/c9-5-7-2-1-3-8(4-7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12) |
| InChI Key | VPFZVOLCQFOMLJ-UHFFFAOYSA-N |
| MDL Number | MFCD11647643 |
| Molecular Formula | C8H8N2O2S |
| Molecular Weight | 196.2263 |
| SMILES | NS(CC1=CC(C#N)=CC=C1)(=O)=O |
| Synonyms | (3-cyanophenyl)methanesulfonamide,
1099122-39-0,
EN300-61153,
AC1Q55GE,
ZINC37420821,
AKOS009296458,
FCH5320721,
MCULE-5606896787,
NE15244,
BBV-42264042,
Z374753998,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.224g/mol |
| Monoisotopic Mass | 196.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number