| CAS Number | 64999-91-3 |
| Catalog Number | AG00IBFN(AGN-PC-0JT33M) |
| Chemical Name | 4-Bromo-N-methyl-N-phenylbenzenesulfonamide |
| IUPAC Name | 4-bromo-N-methyl-N-phenylbenzenesulfonamide |
| InChI | InChI=1S/C13H12BrNO2S/c1-15(12-5-3-2-4-6-12)18(16,17)13-9-7-11(14)8-10-13/h2-10H,1H3 |
| InChI Key | VAKOAGKCNQSYBA-UHFFFAOYSA-N |
| MDL Number | MFCD01215054 |
| Molecular Formula | C13H12BrNO2S |
| Molecular Weight | 326.2089 |
| SMILES | Brc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C |
| Synonyms | 4-Bromo-N-methyl-N-phenylbenzenesulfonamide,
64999-91-3,
AC1LC8S7,
SCHEMBL11174158,
VAKOAGKCNQSYBA-UHFFFAOYSA-N,
ZINC514227,
MFCD01215054,
STK980459,
AKOS002376630,
MCULE-6610559026,
CS-0061721,
Benzenesulfonamide, 4-bromo-N-methyl-N-phenyl-,
AQ-390/11843477,
CID571525,
ZINC00514227,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.208g/mol |
| Monoisotopic Mass | 324.977g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number