| CAS Number | 190902-95-5 |
| Catalog Number | AG00AQJZ(AGN-PC-00PK9E) |
| Chemical Name | 2-Fluoro-4-nitro-1-(trifluoromethoxy)benzene |
| IUPAC Name | 2-fluoro-4-nitro-1-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3F4NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H |
| InChI Key | BLOJBECSYPNXRR-UHFFFAOYSA-N |
| MDL Number | MFCD13194451 |
| Molecular Formula | C7H3F4NO3 |
| Molecular Weight | 225.0972 |
| SMILES | Fc1cc(ccc1OC(F)(F)F)[N+](=O)[O-] |
| Synonyms | 2-FLUORO-4-NITRO-1-(TRIFLUOROMETHOXY)BENZENE,
190902-95-5,
SCHEMBL8643566,
ZINC95494749,
AKOS016016324,
5-Nitro-2-(trifluoromethoxy)fluorobenzene,
V4039,
K-5693,
C7H3F4NO3,
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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 | 225.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.099g/mol |
| Monoisotopic Mass | 225.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number