| CAS Number | 76697-55-7 |
| Catalog Number | AG00G9ME(AGN-PC-0WA595) |
| Chemical Name | 2-(Butane-1-sulfonyl)aniline, HCl |
| IUPAC Name | 2-butylsulfonylaniline;hydrochloride |
| InChI | InChI=1S/C10H15NO2S.ClH/c1-2-3-8-14(12,13)10-7-5-4-6-9(10)11;/h4-7H,2-3,8,11H2,1H3;1H |
| InChI Key | MRKPWUOGOFDTJM-UHFFFAOYSA-N |
| MDL Number | MFCD21333104 |
| Molecular Formula | C10H16ClNO2S |
| Molecular Weight | 249.7575 |
| SMILES | CCCCS(=O)(=O)c1ccccc1N.Cl |
| Synonyms | 2-(Butane-1-sulfonyl)aniline, HCl,
76697-55-7,
2-(Butane-1-sulfonyl)aniline HCl,
MFCD21333104,
2-(Butane-1-sulfonyl)aniline hydrochloride,
V7684,
C10H15NO2S.HCl,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.753g/mol |
| Monoisotopic Mass | 249.059g/mol |
| Rotatable Bond Count | 4 |
| 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