| CAS Number | 1170556-70-3 |
| Catalog Number | AG0094AS(AGN-PC-0WA6G4) |
| Chemical Name | 2-Chloro-5-(methylsulfonyl)aniline, HCl |
| IUPAC Name | 2-chloro-5-methylsulfonylaniline;hydrochloride |
| InChI | InChI=1S/C7H8ClNO2S.ClH/c1-12(10,11)5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H |
| InChI Key | HPONAGWMUKGXHE-UHFFFAOYSA-N |
| MDL Number | MFCD08447122 |
| Molecular Formula | C7H9Cl2NO2S |
| Molecular Weight | 242.1229 |
| SMILES | Cl.CS(C1=CC(N)=C(Cl)C=C1)(=O)=O |
| Synonyms | 2-chloro-5-(methylsulfonyl)aniline hydrochloride,
2-Chloro-5-(methylsulfonyl)aniline, HCl,
1170556-70-3,
EN300-04060,
C7H8ClNO2S.HCl,
AC1Q3C5Q,
CTK6H1230,
MFCD08447122,
2-Chloro-5-(methylsulfonyl)aniline HCl,
Z7805,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.114g/mol |
| Monoisotopic Mass | 240.973g/mol |
| Rotatable Bond Count | 1 |
| 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
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