| CAS Number | 1706454-18-3 |
| Catalog Number | AG01DYUN |
| Chemical Name | 3,3-difluoro-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride |
| IUPAC Name | 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride |
| InChI | InChI=1S/C8H4ClF2NO3S/c9-16(14,15)4-1-2-6-5(3-4)8(10,11)7(13)12-6/h1-3H,(H,12,13) |
| InChI Key | GYGJTKHITVYSIE-UHFFFAOYSA-N |
| MDL Number | MFCD28012479 |
| Molecular Formula | C8H4ClF2NO3S |
| Molecular Weight | 267.6371 |
| SMILES | FC1(C2=C(C=CC(S(Cl)(=O)=O)=C2)NC1=O)F |
| Synonyms | 3,3-Difluoro-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride,
AKOS030628989,
ZINC217482460,
1706454-18-3,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.631g/mol |
| Monoisotopic Mass | 266.957g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number