| CAS Number | 1421599-50-9 |
| Catalog Number | AG00HWD9(AGN-PC-0WP1R5) |
| Chemical Name | 1-Bromo-2-fluoro-5-nitro-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-2-fluoro-5-nitro-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF4NO2/c8-4-2-6(13(14)15)3(1-5(4)9)7(10,11)12/h1-2H |
| InChI Key | LITRJNDEZMOHAK-UHFFFAOYSA-N |
| MDL Number | MFCD28740078 |
| Molecular Formula | C7H2BrF4NO2 |
| Molecular Weight | 287.9939 |
| SMILES | Brc1cc([N+](=O)[O-])c(cc1F)C(F)(F)F |
| Synonyms | 1-Bromo-2-fluoro-5-nitro-4-(trifluoromethyl)benzene,
1421599-50-9,
ZINC261493887,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.996g/mol |
| Monoisotopic Mass | 286.921g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number