| CAS Number | 1598355-16-8 |
| Catalog Number | AG01B2R8 |
| Chemical Name | 1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethan-1-ol |
| IUPAC Name | 1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C8H5BrClF3O/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3,7,14H |
| InChI Key | YYNHERMFTKJUCF-UHFFFAOYSA-N |
| MDL Number | MFCD30180441 |
| Molecular Formula | C8H5BrClF3O |
| Molecular Weight | 289.4769 |
| SMILES | BrC1=CC(=C(C=C1)C(C(F)(F)F)O)Cl |
| Synonyms | 1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethan-1-ol,
1598355-16-8,
AKOS033934439,
Z2515238982,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.476g/mol |
| Monoisotopic Mass | 287.916g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number