| CAS Number | 919354-04-4 |
| Catalog Number | AG01BHAQ(AGN-PC-08XZMB) |
| Chemical Name | (3-Bromophenyl)methanesulfonamide |
| IUPAC Name | (3-bromophenyl)methanesulfonamide |
| InChI | InChI=1S/C7H8BrNO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11) |
| InChI Key | NZPHFPJATRGGMD-UHFFFAOYSA-N |
| MDL Number | MFCD12783429 |
| Molecular Formula | C7H8BrNO2S |
| Molecular Weight | 250.1129 |
| SMILES | BrC=1C=C(C=CC1)CS(=O)(=O)N |
| Synonyms | 919354-04-4,
(3-Bromophenyl)methanesulfonamide,
1-(3-bromophenyl)methanesulfonamide,
3-Bromobenzylsulfonamide,
SCHEMBL1118907,
CTK3H3635,
DTXSID20679338,
NZPHFPJATRGGMD-UHFFFAOYSA-N,
Benzenemethanesulfonamide, 3-bromo-,
(3-Bromo-phenyl)-methanesulfonamide,
ZINC38136985,
AKOS010295797,
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| Complexity | 234 |
| 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 | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number