| CAS Number | 89189-34-4 |
| Catalog Number | AG003VPW(AGN-PC-00LO5C) |
| Chemical Name | 2-ethyl-5-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-ethyl-5-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClNO4S/c1-2-6-3-4-7(10(11)12)5-8(6)15(9,13)14/h3-5H,2H2,1H3 |
| InChI Key | QRVLPRURSPBCKP-UHFFFAOYSA-N |
| MDL Number | MFCD09729755 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | CCC1=C(S(Cl)(=O)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 89189-34-4,
2-ethyl-5-nitrobenzene-1-sulfonyl chloride,
2-ETHYL-5-NITROPHENYLSULFONYL CHLORIDE,
Benzenesulfonylchloride, 2-ethyl-5-nitro-,
PubChem11261,
ACMC-20lit4,
AC1Q2STJ,
SCHEMBL1929846,
CTK3E6847,
DTXSID00531581,
AKOS000138451,
ZINC100265483,
NE18581,
2-ethyl-5-nitrobenzenesulfonyl chloride,
2-ethyl-5-nitro-benzenesulfonyl chloride,
SC-81876,
DB-078323,
FT-0752363,
EN300-40105,
A843090,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.665g/mol |
| Monoisotopic Mass | 248.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number