| CAS Number | 1536707-43-3 |
| Catalog Number | AG01BDFS |
| Chemical Name | 1-(4-Bromo-3-methylphenyl)-2,2,2-trifluoroethan-1-ol |
| IUPAC Name | 1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C9H8BrF3O/c1-5-4-6(2-3-7(5)10)8(14)9(11,12)13/h2-4,8,14H,1H3 |
| InChI Key | RIVPFERROZLXLY-UHFFFAOYSA-N |
| MDL Number | MFCD21783139 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | c1(c(ccc(c1)C(O)C(F)(F)F)Br)C |
| Synonyms | 1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethan-1-ol,
1536707-43-3,
SCHEMBL17716410,
AKOS015824435,
NE24578,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.061g/mol |
| Monoisotopic Mass | 267.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number