| CAS Number | 1308384-43-1 |
| Catalog Number | AG00J2LU(AGN-PC-0WB629) |
| Chemical Name | 6-fluoro-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl chloride |
| IUPAC Name | 6-fluoro-2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride |
| InChI | InChI=1S/C7H4ClFN2O3S/c8-15(13,14)6-2-5-4(1-3(6)9)10-7(12)11-5/h1-2H,(H2,10,11,12) |
| InChI Key | QOHTWAMACMVKOJ-UHFFFAOYSA-N |
| MDL Number | MFCD18917075 |
| Molecular Formula | C7H4ClFN2O3S |
| Molecular Weight | 250.6347 |
| SMILES | FC=1C(=CC2=C(NC(N2)=O)C1)S(=O)(=O)Cl |
| Synonyms | 1308384-43-1,
6-fluoro-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl chloride,
6-Fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonyl chloride,
ZX-CM010057,
MFCD18917075,
AKOS022530511,
ZINC100294432,
Y-8349,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.628g/mol |
| Monoisotopic Mass | 249.962g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number