| CAS Number | 1156223-28-7 |
| Catalog Number | AG01C30P |
| Chemical Name | (2-methyl-3-nitrophenyl)methanesulfonyl chloride |
| IUPAC Name | (2-methyl-3-nitrophenyl)methanesulfonyl chloride |
| InChI | InChI=1S/C8H8ClNO4S/c1-6-7(5-15(9,13)14)3-2-4-8(6)10(11)12/h2-4H,5H2,1H3 |
| InChI Key | IUCXOBDPTTZMHZ-UHFFFAOYSA-N |
| MDL Number | MFCD12186401 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | CC1=C([N+]([O-])=O)C=CC=C1CS(Cl)(=O)=O |
| Synonyms | (2-methyl-3-nitrophenyl)methanesulfonyl chloride,
1156223-28-7,
ZINC59295611,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.986257g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.67g/mol |
| Monoisotopic Mass | 248.986257g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number