| CAS Number | 13541-19-0 |
| Catalog Number | AG01AHDD |
| Chemical Name | 1-(4-Bromophenyl)-3,3,3-trifluoropropan-1-ol |
| IUPAC Name | 1-(4-bromophenyl)-3,3,3-trifluoropropan-1-ol |
| InChI | InChI=1S/C9H8BrF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2 |
| InChI Key | FWZFEMQGRLKIGH-UHFFFAOYSA-N |
| MDL Number | MFCD12786811 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | OC(C1=CC=C(Br)C=C1)CC(F)(F)F |
| Synonyms | 1-(4-bromophenyl)-3,3,3-trifluoropropan-1-ol,
13541-19-0,
AKOS010333822,
MCULE-4199507874,
NE31363,
EN300-74357,
1-(4-Bromophenyl)-3,3,3-trifluoro-1-propanol,
Z1250132604,
|
| Complexity | 175 |
| 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 | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number