| CAS Number | 1602345-75-4 |
| Catalog Number | AG01FGCW(AGN-PC-3H4AJF) |
| Chemical Name | 4-Bromo-5-fluoro-2-(2,2,2-trifluoroethoxy)aniline |
| IUPAC Name | 4-bromo-5-fluoro-2-(2,2,2-trifluoroethoxy)aniline |
| InChI | InChI=1S/C8H6BrF4NO/c9-4-1-7(6(14)2-5(4)10)15-3-8(11,12)13/h1-2H,3,14H2 |
| InChI Key | QREDPEMYZOLEHE-UHFFFAOYSA-N |
| MDL Number | MFCD28155018 |
| Molecular Formula | C8H6BrF4NO |
| Molecular Weight | 288.0370 |
| SMILES | Nc1cc(F)c(cc1OCC(F)(F)F)Br |
| Synonyms | 4-bromo-5-fluoro-2-(2,2,2-trifluoroethoxy)aniline,
1602345-75-4,
MFCD28155018,
ZINC159077038,
PC01490,
PS-11246,
AS-813/43501538,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.04g/mol |
| Monoisotopic Mass | 286.957g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number