| CAS Number | 502642-77-5 |
| Catalog Number | AG00E7MZ |
| Chemical Name | 2,4,6-Trifluorobenzenesulphonamide |
| IUPAC Name | 2,4,6-trifluorobenzenesulfonamide |
| InChI | InChI=1S/C6H4F3NO2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H,(H2,10,11,12) |
| InChI Key | NCXOYFPLTVBANW-UHFFFAOYSA-N |
| MDL Number | MFCD01940428 |
| Molecular Formula | C6H4F3NO2S |
| Molecular Weight | 211.1617 |
| SMILES | NS(C1=C(F)C=C(F)C=C1F)(=O)=O |
| Synonyms | 2,4,6-trifluorobenzenesulfonamide,
2,4,6-Trifluorobenzenesulphonamide,
502642-77-5,
AC1MCSYN,
SCHEMBL2775884,
CTK7B8285,
ZINC2388323,
MFCD01940428,
SBB094455,
AKOS009158721,
PS-10094,
RT-006774,
K-9302,
ZINC02388323,
CID2778291,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.158g/mol |
| Monoisotopic Mass | 210.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number