| CAS Number | 1249929-52-9 |
| Catalog Number | AG01A5BJ |
| Chemical Name | 1-(3-Bromo-4-methoxyphenyl)-2,2,2-trifluoroethan-1-ol |
| IUPAC Name | 1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C9H8BrF3O2/c1-15-7-3-2-5(4-6(7)10)8(14)9(11,12)13/h2-4,8,14H,1H3 |
| InChI Key | JKZPYJJPAHZBFZ-UHFFFAOYSA-N |
| MDL Number | MFCD12786575 |
| Molecular Formula | C9H8BrF3O2 |
| Molecular Weight | 285.0578 |
| SMILES | OC(C1=CC=C(OC)C(Br)=C1)C(F)(F)F |
| Synonyms | 1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethan-1-ol,
1249929-52-9,
(1S)-1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethan-1-ol,
1461689-27-9,
1461689-30-4,
AKOS010333584,
NE31303,
(1R)-1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethan-1-ol,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.06g/mol |
| Monoisotopic Mass | 283.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number