| CAS Number | 56682-04-3 |
| Catalog Number | AG00EGOR |
| Chemical Name | 2-Methyl-3-nitrobenzenesulfonyl chloride |
| IUPAC Name | 2-methyl-3-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6ClNO4S/c1-5-6(9(10)11)3-2-4-7(5)14(8,12)13/h2-4H,1H3 |
| InChI Key | SQIRQSKPXILWAM-UHFFFAOYSA-N |
| MDL Number | MFCD08443419 |
| Molecular Formula | C7H6ClNO4S |
| Molecular Weight | 235.6448 |
| SMILES | O=S(C1=CC=CC([N+]([O-])=O)=C1C)(Cl)=O |
| Synonyms | 2-methyl-3-nitrobenzenesulfonyl chloride,
56682-04-3,
2-methyl-3-nitrobenzene-1-sulfonyl chloride,
AC1Q2ERN,
SCHEMBL10742167,
CTK5A5564,
DTXSID90588145,
MFCD08443419,
AKOS002433936,
ZINC100173026,
MCULE-3024019285,
NE13828,
2-methyl-3-nitro-benzenesulfonyl chloride,
BS-13923,
TL8003662,
EN300-31020,
2-METHYL-3-NITROBENZENESULFONYLCHLORIDE,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.638g/mol |
| Monoisotopic Mass | 234.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number