| CAS Number | 349404-99-5 |
| Catalog Number | AG019ETV |
| Chemical Name | 4-Bromo-N-(3-bromophenyl)benzenesulfonamide |
| IUPAC Name | 4-bromo-N-(3-bromophenyl)benzenesulfonamide |
| InChI | InChI=1S/C12H9Br2NO2S/c13-9-4-6-12(7-5-9)18(16,17)15-11-3-1-2-10(14)8-11/h1-8,15H |
| InChI Key | IVCLEMBBYDDEQW-UHFFFAOYSA-N |
| MDL Number | MFCD01215114 |
| Molecular Formula | C12H9Br2NO2S |
| Molecular Weight | 391.0784 |
| SMILES | BrC1=CC=C(C=C1)S(=O)(=O)NC1=CC(=CC=C1)Br |
| Synonyms | 4-bromo-N-(3-bromophenyl)benzenesulfonamide,
349404-99-5,
AC1MYLAY,
ZINC2807398,
MFCD01215114,
AKOS003959707,
SC-56434,
CS-0060411,
4-Bromo-N-(3-bromophenyl)-benzenesulfonamide,
4-Bromo-N-(3-bromo-phenyl)-benzenesulfonamide,
CID3833629,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.87g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.077g/mol |
| Monoisotopic Mass | 388.872g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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