| CAS Number | 64732-38-3 |
| Catalog Number | AG00EKUI(AGN-PC-00JRLB) |
| Chemical Name | 4-bromobenzenemethanesulfonamide |
| IUPAC Name | (4-bromophenyl)methanesulfonamide |
| InChI | InChI=1S/C7H8BrNO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11) |
| InChI Key | UMWAULCQIJRMLH-UHFFFAOYSA-N |
| MDL Number | MFCD12776301 |
| Molecular Formula | C7H8BrNO2S |
| Molecular Weight | 250.1129 |
| SMILES | BrC1=CC=C(C=C1)CS(=O)(=O)N |
| Synonyms | (4-bromophenyl)methanesulfonamide,
64732-38-3,
4-Bromobenzylsulfonamide,
1-(4-bromophenyl)methanesulfonamide,
4-Bromophenylmethanesulfonamide,
4-BroMobenzeneMethanesulfonaMide,
SCHEMBL11137088,
DTXSID80476002,
KS-000024WE,
MFCD12776301,
ZINC37981264,
AKOS008098374,
EG-0222,
MCULE-4373640952,
NE43897,
AM101080,
EN300-93297,
Z274591724,
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| Complexity | 226 |
| 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 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number