| CAS Number | 1179256-73-5 |
| Catalog Number | AG01B2WK |
| Chemical Name | 3-chloro-4-(trifluoroacetamido)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride |
| InChI | InChI=1S/C8H4Cl2F3NO3S/c9-5-3-4(18(10,16)17)1-2-6(5)14-7(15)8(11,12)13/h1-3H,(H,14,15) |
| InChI Key | NZZVIISZKMELCU-UHFFFAOYSA-N |
| MDL Number | MFCD12850506 |
| Molecular Formula | C8H4Cl2F3NO3S |
| Molecular Weight | 322.0885 |
| SMILES | FC(C(NC1=C(Cl)C=C(S(Cl)(=O)=O)C=C1)=O)(F)F |
| Synonyms | 3-chloro-4-(2,2,2-trifluoroacetamido)benzene-1-sulfonyl chloride,
1179256-73-5,
AKOS010227155,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.079g/mol |
| Monoisotopic Mass | 320.924g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number