| CAS Number | 15183-75-2 |
| Catalog Number | AG007E09(AGN-PC-0LLHTZ) |
| Chemical Name | 2-Nitro-4-[(trifluoromethyl)sulphonyl]phenol |
| IUPAC Name | 2-nitro-4-(trifluoromethylsulfonyl)phenol |
| InChI | InChI=1S/C7H4F3NO5S/c8-7(9,10)17(15,16)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H |
| InChI Key | YIKCQUUQMXHEEU-UHFFFAOYSA-N |
| MDL Number | MFCD00986405 |
| Molecular Formula | C7H4F3NO5S |
| Molecular Weight | 271.1706 |
| SMILES | OC1=CC=C(S(=O)(C(F)(F)F)=O)C=C1[N+]([O-])=O |
| Synonyms | 15183-75-2,
2-nitro-4-(trifluoromethylsulfonyl)phenol,
2-nitro-4-[(trifluoromethyl)sulfonyl]phenol,
2-Nitro-4-[(trifluoromethyl)sulphonyl]phenol,
Phenol, 2-nitro-4-[(trifluoromethyl)sulfonyl]-,
YIKCQUUQMXHEEU-UHFFFAOYSA-N,
2-Nitro-4-((trifluoromethyl)sulfonyl)phenol,
AC1NN19S,
SCHEMBL3017222,
CTK0B1436,
DTXSID40407675,
ZINC1507325,
ZX-AP002358,
MFCD00986405,
AKOS027373061,
PC51177,
PS-10415,
CID5035187,
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| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.166g/mol |
| Monoisotopic Mass | 270.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number