| CAS Number | 871507-63-0 |
| Catalog Number | AG019DVO(AGN-PC-0VB7DL) |
| Chemical Name | 1-(Pentafluorosulfanyl)-3-bromo-5-nitrobenzene |
| IUPAC Name | (3-bromo-5-nitrophenyl)-pentafluoro-λ6-sulfane |
| InChI | InChI=1S/C6H3BrF5NO2S/c7-4-1-5(13(14)15)3-6(2-4)16(8,9,10,11)12/h1-3H |
| InChI Key | NRDBEGMTZGNVTH-UHFFFAOYSA-N |
| MDL Number | MFCD27664831 |
| Molecular Formula | C6H3BrF5NO2S |
| Molecular Weight | 328.0545 |
| SMILES | FS(C1=CC(=CC(=C1)[N+](=O)[O-])Br)(F)(F)(F)F |
| Synonyms | 871507-63-0,
1-(Pentafluorosulfanyl)-3-bromo-5-nitrobenzene,
1-Pentafluorosulfanyl-3-bromo-5-nitrobenzene,
SCHEMBL15544726,
MFCD27664831,
AKOS025212644,
ZINC216518459,
PC405636,
PS-10441,
1-Bromo-3-nitro-5-(pentafluoro-lambda6-sulfanyl)benzene,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.899g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.051g/mol |
| Monoisotopic Mass | 326.899g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number