| CAS Number | 1048916-38-6 |
| Catalog Number | AG00HAFI |
| Chemical Name | 1-Bromo-2-methanesulfonyl-4-nitrobenzene |
| IUPAC Name | 1-bromo-2-methylsulfonyl-4-nitrobenzene |
| InChI | InChI=1S/C7H6BrNO4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3 |
| InChI Key | MPRWEWCOYBUVNP-UHFFFAOYSA-N |
| MDL Number | MFCD11052985 |
| Molecular Formula | C7H6BrNO4S |
| Molecular Weight | 280.0958 |
| SMILES | CS(C1=C(Br)C=CC([N+]([O-])=O)=C1)(=O)=O |
| Synonyms | 1048916-38-6,
1-bromo-2-methanesulfonyl-4-nitrobenzene,
1-Bromo-2-methanesulfonyl-4-nitro-benzene,
2-Bromo-5-nitrophenyl methyl sulphone,
1-Bromo-2-(methylsulfonyl)-4-nitrobenzene,
MFCD11052985,
ZINC39320966,
AKOS027393646,
PS-10526,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.092g/mol |
| Monoisotopic Mass | 278.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number