| CAS Number | 1375473-63-4 |
| Catalog Number | AG019TCD |
| Chemical Name | 4-bromo-3-methanesulfonylaniline |
| IUPAC Name | 4-bromo-3-methylsulfonylaniline |
| InChI | InChI=1S/C7H8BrNO2S/c1-12(10,11)7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3 |
| InChI Key | GAHLARZDAZEHBG-UHFFFAOYSA-N |
| MDL Number | MFCD21602552 |
| Molecular Formula | C7H8BrNO2S |
| Molecular Weight | 250.1129 |
| SMILES | CS(C1=C(Br)C=CC(N)=C1)(=O)=O |
| Synonyms | 4-Bromo-3-(methylsulphonyl)aniline,
4-bromo-3-methanesulfonylaniline,
1375473-63-4,
MFCD21602552,
ZINC72266436,
PS-11623,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.11g/mol |
| Monoisotopic Mass | 248.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number