| CAS Number | 1432075-84-7 |
| Catalog Number | AG00HWU5(AGN-PC-0WR0S9) |
| Chemical Name | (4-Bromo-1h-benzimidazol-6-yl)sulphur pentafluoride |
| IUPAC Name | (7-bromo-3H-benzimidazol-5-yl)-pentafluoro-λ6-sulfane |
| InChI | InChI=1S/C7H4BrF5N2S/c8-5-1-4(16(9,10,11,12)13)2-6-7(5)15-3-14-6/h1-3H,(H,14,15) |
| InChI Key | DQYKPHFROCNMJE-UHFFFAOYSA-N |
| MDL Number | MFCD24369706 |
| Molecular Formula | C7H4BrF5N2S |
| Molecular Weight | 323.0811 |
| SMILES | FS(F)(F)(F)(F)C1=CC(Br)=C2N=CNC2=C1 |
| Synonyms | 1432075-84-7,
4-Bromo-6-(pentafluorothio)-1H-benzimidazole,
(4-Bromo-1h-benzimidazol-6-yl)sulphur pentafluoride,
ZX-AP002751,
MFCD24369706,
ZINC97950266,
PC51190,
PS-11152,
(4-Bromo-1H-benzimidazol-6-yl)sulphur pentafluoride 95%,
(4-Bromo-1H-benzimidazol-6-yl)sulfur pentafluoride,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.079g/mol |
| Monoisotopic Mass | 321.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number