| CAS Number | 1073339-19-1 |
| Catalog Number | AG0094H2(AGN-PC-0WQXEY) |
| Chemical Name | 5-Bromo-2,3,4-trifluorophenol |
| IUPAC Name | 5-bromo-2,3,4-trifluorophenol |
| InChI | InChI=1S/C6H2BrF3O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H |
| InChI Key | KSUNOCRIVMNERL-UHFFFAOYSA-N |
| MDL Number | MFCD11857741 |
| Molecular Formula | C6H2BrF3O |
| Molecular Weight | 226.9787 |
| SMILES | BrC=1C(=C(C(=C(C1)O)F)F)F |
| Synonyms | 5-BROMO-2,3,4-TRIFLUOROPHENOL,
1073339-19-1,
MFCD12405433,
ZINC79019708,
FCH1325919,
PC48631,
PS-10194,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.98g/mol |
| Monoisotopic Mass | 225.924g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number