| CAS Number | 1417341-55-9 |
| Catalog Number | AG00HW6K(AGN-PC-0WQX3J) |
| Chemical Name | 5-((Trifluoromethyl)sulfonyl)-1H-benzo[d]imidazole |
| IUPAC Name | 6-(trifluoromethylsulfonyl)-1H-benzimidazole |
| InChI | InChI=1S/C8H5F3N2O2S/c9-8(10,11)16(14,15)5-1-2-6-7(3-5)13-4-12-6/h1-4H,(H,12,13) |
| InChI Key | JEOFJOWCWVPMTM-UHFFFAOYSA-N |
| MDL Number | MFCD22628760 |
| Molecular Formula | C8H5F3N2O2S |
| Molecular Weight | 250.1977 |
| SMILES | FC(S(=O)(=O)C1=CC2=C(NC=N2)C=C1)(F)F |
| Synonyms | 1417341-55-9,
5-[(Trifluoromethyl)sulphonyl]-1H-benzimidazole,
5-trifluoromethanesulfonyl-1H-1,3-benzodiazole,
5-[(Trifluoromethyl)sulphonyl]-1H-benzimidazole 95%,
6-((trifluoromethyl)sulfonyl)-1H-benzo[d]imidazole,
5-((Trifluoromethyl)sulfonyl)-1H-benzo[d]imidazole,
KS-00003QRE,
ZX-AP002292,
MFCD22628760,
ZINC83750033,
AKOS026675543,
PC10660,
PS-6381,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.195g/mol |
| Monoisotopic Mass | 250.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number