| CAS Number | 1159512-26-1 |
| Catalog Number | AG000H76(AGN-PC-0WA70X) |
| Chemical Name | 2-Nitro-4-(pentafluorosulfanyl)phenol |
| IUPAC Name | 2-nitro-4-(pentafluoro-λ6-sulfanyl)phenol |
| InChI | InChI=1S/C6H4F5NO3S/c7-16(8,9,10,11)4-1-2-6(13)5(3-4)12(14)15/h1-3,13H |
| InChI Key | YEHHRNDFXUQGET-UHFFFAOYSA-N |
| MDL Number | MFCD11501052 |
| Molecular Formula | C6H4F5NO3S |
| Molecular Weight | 265.1579 |
| SMILES | OC1=CC=C(C=C1[N+]([O-])=O)S(F)(F)(F)(F)F |
| Synonyms | 2-NITRO-4-(PENTAFLUOROSULFANYL)PHENOL,
1159512-26-1,
4-Hydroxy-3-nitrophenylsulphur pentafluoride,
CTK5I2681,
DTXSID90672876,
ZX-AP003045,
MFCD11501052,
PC5199,
SBB102899,
AKOS016015471,
AKOS025296394,
ZINC100043509,
AS-38443,
4-Hydroxy-3-nitropentafluorosulphanylbenzene,
4-Hydroxy-3-nitrophenylsulfur pentafluoride,
4-Hydroxy-3-nitrophenylpentafluorosulfur(VI),
2-Nitro-4-(pentafluoro-lambda~6~-sulfanyl)phenol,
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| 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
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Certificate of Analysis
Lot Number