| CAS Number | 1423037-20-0 |
| Catalog Number | AG009WZP(AGN-PC-0WA6UU) |
| Chemical Name | 2-Methanesulfonyl-5-nitrobenzaldehyde |
| IUPAC Name | 2-methylsulfonyl-5-nitrobenzaldehyde |
| InChI | InChI=1S/C8H7NO5S/c1-15(13,14)8-3-2-7(9(11)12)4-6(8)5-10/h2-5H,1H3 |
| InChI Key | BDHKAEHESAVNOE-UHFFFAOYSA-N |
| MDL Number | MFCD23135930 |
| Molecular Formula | C8H7NO5S |
| Molecular Weight | 229.2099 |
| SMILES | O=Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-] |
| Synonyms | 2-Methanesulfonyl-5-nitrobenzaldehyde,
1423037-20-0,
ZINC95218036,
V3180,
C8H7NO5S,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.206g/mol |
| Monoisotopic Mass | 229.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number