| CAS Number | 1329120-21-9 |
| Catalog Number | AG019DDZ(AGN-PC-0WA70Z) |
| Chemical Name | 2-Nitro-5-(pentafluorosulfanyl)phenol |
| IUPAC Name | 2-nitro-5-(pentafluoro-λ6-sulfanyl)phenol |
| InChI | InChI=1S/C6H4F5NO3S/c7-16(8,9,10,11)4-1-2-5(12(14)15)6(13)3-4/h1-3,13H |
| InChI Key | FVDVAGIMBHJLDU-UHFFFAOYSA-N |
| MDL Number | MFCD30182058 |
| Molecular Formula | C6H4F5NO3S |
| Molecular Weight | 265.1579 |
| SMILES | OC1=C(C=CC(=C1)S(F)(F)(F)(F)F)[N+]([O-])=O |
| Synonyms | 2-NITRO-5-(PENTAFLUOROSULFANYL)PHENOL,
1329120-21-9,
2-Nitro-5-(pentafluoro-lambda~6~-sulfanyl)phenol,
DTXSID70856576,
MFCD22370112,
AKOS016015470,
AKOS025296395,
ZINC100641959,
PC405530,
PS-10438,
3-Hydroxy-4-nitrophenylpentafluorosulfur(VI),
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.154g/mol |
| Monoisotopic Mass | 264.983g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number