| CAS Number | 1172364-06-5 |
| Catalog Number | AG019UXS |
| Chemical Name | 4-(4-bromobenzenesulfonyl)aniline hydrochloride |
| IUPAC Name | 4-(4-bromophenyl)sulfonylaniline;hydrochloride |
| InChI | InChI=1S/C12H10BrNO2S.ClH/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;/h1-8H,14H2;1H |
| InChI Key | AJFBWCQEOGZIHA-UHFFFAOYSA-N |
| MDL Number | MFCD11858023 |
| Molecular Formula | C12H11BrClNO2S |
| Molecular Weight | 348.6432 |
| SMILES | Cl.NC1=CC=C(S(C2=CC=C(Br)C=C2)(=O)=O)C=C1 |
| Synonyms | 4-(4-bromobenzenesulfonyl)aniline hydrochloride,
1172364-06-5,
4-[(4-bromobenzene)sulfonyl]aniline hydrochloride,
AC1Q3CYP,
MCULE-2179041610,
NE15325,
EN300-43160,
Z444311356,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.639g/mol |
| Monoisotopic Mass | 346.938g/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
Certificate of Analysis
Lot Number