| CAS Number | 887266-98-0 |
| Catalog Number | AG00IFD4(AGN-PC-0WAJ2J) |
| Chemical Name | 2-Fluoro-6-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-fluoro-6-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3ClFNO4S/c7-14(12,13)6-4(8)2-1-3-5(6)9(10)11/h1-3H |
| InChI Key | QTNQIGYAUISKNU-UHFFFAOYSA-N |
| MDL Number | MFCD07368711 |
| Molecular Formula | C6H3ClFNO4S |
| Molecular Weight | 239.6087 |
| SMILES | [O-][N+](C1=C(S(Cl)(=O)=O)C(F)=CC=C1)=O |
| Synonyms | 2-fluoro-6-nitrobenzene-1-sulfonyl chloride,
887266-98-0,
2-fluoro-6-nitrobenzenesulfonyl chloride,
2-FLUORO-6-NITROBENZENESULPHONYL CHLORIDE,
2-Fluoro-6-nitrobenzene sulfonyl chloride,
AC1MD4H2,
AC1Q1WU1,
SCHEMBL19858519,
CTK5I3837,
MFCD07368711,
ZINC95671125,
AKOS006220925,
NE51377,
PS-10819,
TX-016417,
2-Fluoro-6-nitrobenzenesulfonic acid chloride,
EN300-54672,
CID2783412,
2-fluoro-6-nitro-benzenesulfonyl Chloride,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.601g/mol |
| Monoisotopic Mass | 238.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number