| CAS Number | 1022968-46-2 |
| Catalog Number | AG008T93(AGN-PC-0WA5BO) |
| Chemical Name | 2-(Isopropylsulfonyl)aniline HCl |
| IUPAC Name | 2-propan-2-ylsulfonylaniline;hydrochloride |
| InChI | InChI=1S/C9H13NO2S.ClH/c1-7(2)13(11,12)9-6-4-3-5-8(9)10;/h3-7H,10H2,1-2H3;1H |
| InChI Key | ZDKZHWSVQDWEDU-UHFFFAOYSA-N |
| MDL Number | MFCD21333102 |
| Molecular Formula | C9H14ClNO2S |
| Molecular Weight | 235.7310 |
| SMILES | Nc1ccccc1S(=O)(=O)C(C)C.Cl |
| Synonyms | 2-(Isopropylsulfonyl)aniline HCl,
1022968-46-2,
2-(Isopropylsulfonyl)aniline hydrochloride,
MFCD21333102,
2-propan-2-ylsulfonylaniline;hydrochloride,
Z6522,
C9H13NO2S.HCl,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.726g/mol |
| Monoisotopic Mass | 235.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number