| CAS Number | 1415819-92-9 |
| Catalog Number | AG009WX2(AGN-PC-0WNXFI) |
| Chemical Name | 1-Bromo-5-fluoro-4-methanesulfonyl-2-nitrobenzene |
| IUPAC Name | 1-bromo-5-fluoro-4-methylsulfonyl-2-nitrobenzene |
| InChI | InChI=1S/C7H5BrFNO4S/c1-15(13,14)7-3-6(10(11)12)4(8)2-5(7)9/h2-3H,1H3 |
| InChI Key | BGECMANMRHXGNN-UHFFFAOYSA-N |
| MDL Number | MFCD22586699 |
| Molecular Formula | C7H5BrFNO4S |
| Molecular Weight | 298.0863 |
| SMILES | [O-][N+](=O)c1cc(c(cc1Br)F)S(=O)(=O)C |
| Synonyms | 1-Bromo-5-fluoro-4-methanesulfonyl-2-nitrobenzene,
1415819-92-9,
C7H5BrFNO4S,
ZINC95496058,
V3119,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.911g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.082g/mol |
| Monoisotopic Mass | 296.911g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number