| CAS Number | 1261445-46-8 |
| Catalog Number | AG000RRF(AGN-PC-0J2C2E) |
| Chemical Name | 2-Nitro-6-(trifluoromethoxy)phenol |
| IUPAC Name | 2-nitro-6-(trifluoromethoxy)phenol |
| InChI | InChI=1S/C7H4F3NO4/c8-7(9,10)15-5-3-1-2-4(6(5)12)11(13)14/h1-3,12H |
| InChI Key | UVLZLZHRZNVVGL-UHFFFAOYSA-N |
| MDL Number | MFCD18399922 |
| Molecular Formula | C7H4F3NO4 |
| Molecular Weight | 223.1062 |
| SMILES | [O-][N+](=O)c1cccc(c1O)OC(F)(F)F |
| Synonyms | 2-Nitro-6-(trifluoromethoxy)phenol,
1261445-46-8,
ACMC-209b1u,
CTK8A9622,
DTXSID00742695,
ANW-18592,
MFCD18399922,
ZINC85476717,
AKOS025294233,
Phenol, 2-nitro-6-(trifluoromethoxy)-,
TC-107337,
Z9054,
B-9736,
C7H4F3NO4,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.107g/mol |
| Monoisotopic Mass | 223.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number