| CAS Number | 1360438-11-4 |
| Catalog Number | AG00A09N(AGN-PC-0WQWLV) |
| Chemical Name | 1-Bromo-2-fluoro-5-nitro-3-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-2-fluoro-5-nitro-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF4NO2/c8-5-2-3(13(14)15)1-4(6(5)9)7(10,11)12/h1-2H |
| InChI Key | SMWBEODPKNIOGO-UHFFFAOYSA-N |
| MDL Number | MFCD11520113 |
| Molecular Formula | C7H2BrF4NO2 |
| Molecular Weight | 287.9939 |
| SMILES | BrC1=C(C(=CC(=C1)[N+](=O)[O-])C(F)(F)F)F |
| Synonyms | 1360438-11-4,
1-bromo-2-fluoro-5-nitro-3-(trifluoromethyl)benzene,
5-nitro-2-fluoro-3-bromo trifluorotoluene,
3-Bromo-2-fluoro-5-nitrobenzotrifluoride,
Intermediates-ZCF02049,
MFCD11520113,
ZINC238553479,
SC-44008,
1-bromo-2-fluoro-5-nitro-3-(trifluoromethyl)benzen,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number