| CAS Number | 75259-32-4 |
| Catalog Number | AG00G9MW(AGN-PC-0WOJ6B) |
| Chemical Name | 1-(Ethanesulfonyl)-2-methoxy-4-nitrobenzene |
| IUPAC Name | 1-ethylsulfonyl-2-methoxy-4-nitrobenzene |
| InChI | InChI=1S/C9H11NO5S/c1-3-16(13,14)9-5-4-7(10(11)12)6-8(9)15-2/h4-6H,3H2,1-2H3 |
| InChI Key | LMNQJZKCGQWBHB-UHFFFAOYSA-N |
| MDL Number | MFCD25953911 |
| Molecular Formula | C9H11NO5S |
| Molecular Weight | 245.2523 |
| SMILES | COc1cc(ccc1S(=O)(=O)CC)[N+](=O)[O-] |
| Synonyms | 1-(Ethanesulfonyl)-2-methoxy-4-nitrobenzene,
75259-32-4,
ZINC95495693,
AKOS026673795,
V7614,
C9H11NO5S,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.249g/mol |
| Monoisotopic Mass | 245.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number