| CAS Number | 195455-54-0 |
| Catalog Number | AG00748P(AGN-PC-0JCW1Z) |
| Chemical Name | 2-Nitro-p-tolyl triflate |
| IUPAC Name | (4-methyl-2-nitrophenyl) trifluoromethanesulfonate |
| InChI | InChI=1S/C8H6F3NO5S/c1-5-2-3-7(6(4-5)12(13)14)17-18(15,16)8(9,10)11/h2-4H,1H3 |
| InChI Key | PJUPDNUBFUXJEN-UHFFFAOYSA-N |
| MDL Number | MFCD25541871 |
| Molecular Formula | C8H6F3NO5S |
| Molecular Weight | 285.1971 |
| SMILES | CC1=CC(=C(OS(=O)(=O)C(F)(F)F)C=C1)[N+]([O-])=O |
| Synonyms | 195455-54-0,
4-Methyl-2-nitrophenyl trifluoromethanesulphonate,
Methanesulfonic acid, trifluoro-, 4-methyl-2-nitrophenyl ester,
SCHEMBL810810,
CTK0A0482,
DTXSID60772852,
PJUPDNUBFUXJEN-UHFFFAOYSA-N,
ZX-AP011889,
MFCD25541871,
ZINC97972481,
FCH3086357,
PC500111,
PS-10405,
4-Methyl-2-nitrophenyl trifluoromethanesulfonate,
Trifluoro-methanesulfonic acid 4-methyl-2-nitro-phenyl ester,
2-Nitro-p-tolyl triflate,
(4-methyl-2-nitrophenyl) trifluoromethanesulfonate,
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| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.193g/mol |
| Monoisotopic Mass | 284.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number