| CAS Number | 1214349-54-8 |
| Catalog Number | AG01FGEG(AGN-PC-0WCTTD) |
| Chemical Name | (5-Bromo-2-(trifluoromethyl)phenyl)methanol |
| IUPAC Name | [5-bromo-2-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H6BrF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3,13H,4H2 |
| InChI Key | FCEJEQQBRZHCJZ-UHFFFAOYSA-N |
| MDL Number | MFCD13185398 |
| Molecular Formula | C8H6BrF3O |
| Molecular Weight | 255.0318 |
| SMILES | OCC1=CC(Br)=CC=C1C(F)(F)F |
| Synonyms | (5-bromo-2-(trifluoromethyl)phenyl)methanol,
1214349-54-8,
5-Bromo-2-(trifluoromethyl)benzyl alcohol,
SCHEMBL16831671,
MFCD13185398,
ZINC169796810,
FCH1380618,
PC500758,
PS-11517,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.034g/mol |
| Monoisotopic Mass | 253.955g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number