| CAS Number | 122243-30-5 |
| Catalog Number | AG019T4H |
| Chemical Name | 2-(3-Bromophenyl)-1,1,1-trifluoropropan-2-ol |
| IUPAC Name | 2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol |
| InChI | InChI=1S/C9H8BrF3O/c1-8(14,9(11,12)13)6-3-2-4-7(10)5-6/h2-5,14H,1H3 |
| InChI Key | NSFHTONABRSTTQ-UHFFFAOYSA-N |
| MDL Number | MFCD16068003 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | CC(O)(C1=CC=CC(Br)=C1)C(F)(F)F |
| Synonyms | 2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol,
122243-30-5,
SCHEMBL12170409,
NSFHTONABRSTTQ-UHFFFAOYSA-N,
AKOS010909459,
MCULE-4605543255,
NE18075,
Z1285102366,
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| Complexity | 207 |
| 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 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number