| CAS Number | 195389-71-0 |
| Catalog Number | AG00I3DP(AGN-PC-0JUR68) |
| Chemical Name | N-(4-bromo-2,6-dimethylphenyl)methanesulfonamide |
| IUPAC Name | N-(4-bromo-2,6-dimethylphenyl)methanesulfonamide |
| InChI | InChI=1S/C9H12BrNO2S/c1-6-4-8(10)5-7(2)9(6)11-14(3,12)13/h4-5,11H,1-3H3 |
| InChI Key | QPROWEYSTFJVLZ-UHFFFAOYSA-N |
| MDL Number | MFCD00031386 |
| Molecular Formula | C9H12BrNO2S |
| Molecular Weight | 278.1661 |
| SMILES | Brc1cc(C)c(c(c1)C)NS(=O)(=O)C |
| Synonyms | N-(4-bromo-2,6-dimethylphenyl)methanesulfonamide,
195389-71-0,
AC1LDRQE,
AC1Q2HK7,
SCHEMBL16733798,
ZINC36000,
AKOS003242344,
MCULE-3342664714,
ST006041,
(4-bromo-2,6-dimethylphenyl)(methylsulfonyl)amine,
CID673820,
ZINC00036000,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.164g/mol |
| Monoisotopic Mass | 276.977g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number