| CAS Number | 1156118-09-0 |
| Catalog Number | AG01C2UZ |
| Chemical Name | (2-methyl-3-nitrophenyl)methanesulfonamide |
| IUPAC Name | (2-methyl-3-nitrophenyl)methanesulfonamide |
| InChI | InChI=1S/C8H10N2O4S/c1-6-7(5-15(9,13)14)3-2-4-8(6)10(11)12/h2-4H,5H2,1H3,(H2,9,13,14) |
| InChI Key | BJNRXZWFHZZIIC-UHFFFAOYSA-N |
| MDL Number | MFCD12186513 |
| Molecular Formula | C8H10N2O4S |
| Molecular Weight | 230.2410 |
| SMILES | CC1=C([N+]([O-])=O)C=CC=C1CS(N)(=O)=O |
| Synonyms | (2-methyl-3-nitrophenyl)methanesulfonamide,
1156118-09-0,
ZINC35649583,
AKOS009560639,
Z2301499916,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number