| CAS Number | 208191-64-4 |
| Catalog Number | AG002JK4(AGN-PC-0N7VTJ) |
| Chemical Name | 2-(Methylsulfonyl)-4-nitrophenol |
| IUPAC Name | 2-methylsulfonyl-4-nitrophenol |
| InChI | InChI=1S/C7H7NO5S/c1-14(12,13)7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3 |
| InChI Key | SFPGVYIDXBKMAD-UHFFFAOYSA-N |
| MDL Number | MFCD09025927 |
| Molecular Formula | C7H7NO5S |
| Molecular Weight | 217.1992 |
| SMILES | S(C)(C1=CC(=CC=C1O)[N+](=O)[O-])(=O)=O |
| Synonyms | 2-(Methylsulfonyl)-4-nitrophenol,
208191-64-4,
2-(methylsulphonyl)-4-nitrophenol,
Phenol, 2-(methylsulfonyl)-4-nitro-,
SFPGVYIDXBKMAD-UHFFFAOYSA-N,
SCHEMBL1530423,
2-methanesulfonyl-4-nitrophenol,
CTK5I2980,
MFCD09025927,
ZINC15443205,
AKOS005264641,
PS-10518,
TR-048265,
BB 0259900,
Y-9781,
2-methylsulfonyl-4-nitro-phenol,
CID10632551,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.195g/mol |
| Monoisotopic Mass | 217.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number