| CAS Number | 1805568-90-4 |
| Catalog Number | AG01DX87 |
| Chemical Name | 2-Bromo-3-Methoxy-4-(Trifluoromethoxy)Aniline |
| IUPAC Name | 2-bromo-3-methoxy-4-(trifluoromethoxy)aniline |
| InChI | InChI=1S/C8H7BrF3NO2/c1-14-7-5(15-8(10,11)12)3-2-4(13)6(7)9/h2-3H,13H2,1H3 |
| InChI Key | QNUPLSMSSGITSJ-UHFFFAOYSA-N |
| MDL Number | MFCD28741747 |
| Molecular Formula | C8H7BrF3NO2 |
| Molecular Weight | 286.0459 |
| SMILES | BrC1=C(C=CC(=C1OC)OC(F)(F)F)N |
| Synonyms | 2-Bromo-3-methoxy-4-(trifluoromethoxy)aniline,
1805568-90-4,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.048g/mol |
| Monoisotopic Mass | 284.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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