| CAS Number | 1124144-68-8 |
| Catalog Number | AG01EIN3 |
| Chemical Name | 1,5-Dibromo-2-methoxy-3-(trifluoromethyl)benzene |
| IUPAC Name | 1,5-dibromo-2-methoxy-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5Br2F3O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3 |
| InChI Key | OBLAOVLYRYJLOW-UHFFFAOYSA-N |
| MDL Number | MFCD31617585 |
| Molecular Formula | C8H5Br2F3O |
| Molecular Weight | 333.9279 |
| SMILES | c1(c(c(cc(c1)Br)C(F)(F)F)OC)Br |
| Synonyms | SCHEMBL13807389,
1,5-dibromo-2-methoxy-3-(trifluoromethyl)benzene,
1124144-68-8,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.864g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.93g/mol |
| Monoisotopic Mass | 331.866g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number