| CAS Number | 2488-54-2 |
| Catalog Number | AG01AH46(AGN-PC-0JPF5O) |
| Chemical Name | 1-Chloro-4-difluoromethanesulfonyl-2-nitrobenzene |
| IUPAC Name | 1-chloro-4-(difluoromethylsulfonyl)-2-nitrobenzene |
| InChI | InChI=1S/C7H4ClF2NO4S/c8-5-2-1-4(3-6(5)11(12)13)16(14,15)7(9)10/h1-3,7H |
| InChI Key | JOZYBWSIYOLHHH-UHFFFAOYSA-N |
| MDL Number | MFCD00656652 |
| Molecular Formula | C7H4ClF2NO4S |
| Molecular Weight | 271.6258 |
| NSC Number | 166348 |
| SMILES | [O-][N+](C1=C(Cl)C=CC(S(C(F)F)(=O)=O)=C1)=O |
| Synonyms | 1-chloro-4-difluoromethanesulfonyl-2-nitrobenzene,
2488-54-2,
1-chloro-4-[(difluoromethyl)sulphonyl]-2-nitrobenzene,
NSC166348,
AC1L6PXN,
1-chloro-4-(difluoromethylsulfonyl)-2-nitrobenzene,
CTK5I2565,
DTXSID50304580,
ZINC1655643,
MFCD00656652,
AKOS034450812,
NE20340,
NSC-166348,
EN300-73641,
1-chloro-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene,
Z56755994,
CID296306,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.619g/mol |
| Monoisotopic Mass | 270.952g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number