| CAS Number | 80259-15-0 |
| Catalog Number | AG00G80A(AGN-PC-0UGT4X) |
| Chemical Name | 2-(4-nitrophenyl)ethanesulfonyl Chloride |
| IUPAC Name | 2-(4-nitrophenyl)ethanesulfonyl chloride |
| InChI | InChI=1S/C8H8ClNO4S/c9-15(13,14)6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2 |
| InChI Key | LCUFMYFBIXFCMV-UHFFFAOYSA-N |
| MDL Number | MFCD06657958 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | [O-][N+](C1=CC=C(CCS(Cl)(=O)=O)C=C1)=O |
| Synonyms | 2-(4-nitrophenyl)ethanesulfonyl Chloride,
80259-15-0,
2-(4-nitrophenyl)ethane-1-sulfonyl chloride,
2-(4-NITRO-PHENYL)-ETHANESULFONYL CHLORIDE,
AC1MC4CN,
SCHEMBL2233530,
CTK5I3202,
LCUFMYFBIXFCMV-UHFFFAOYSA-N,
ZINC95696965,
AKOS009546640,
AB25759,
NE28016,
FT-0696418,
CID2761175,
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| Complexity | 311 |
| 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 | 3 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number