| CAS Number | 932390-36-8 |
| Catalog Number | AG003ATV(AGN-PC-0WOKJ0) |
| Chemical Name | 4-Bromo-2-(trifluoromethyl)benzenemethanol |
| IUPAC Name | [4-bromo-2-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H6BrF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2 |
| InChI Key | OAJNCPOEIRBIHS-UHFFFAOYSA-N |
| MDL Number | MFCD12761598 |
| Molecular Formula | C8H6BrF3O |
| Molecular Weight | 255.0318 |
| SMILES | BrC1=CC(=C(C=C1)CO)C(F)(F)F |
| Synonyms | 932390-36-8,
4-bromo-2-(trifluoromethyl)benzyl alcohol,
(4-Bromo-2-(trifluoromethyl)phenyl)methanol,
4-Bromo-2-(trifluoromethyl)benzenemethanol,
[4-bromo-2-(trifluoromethyl)phenyl]methanol,
SCHEMBL20196946,
MFCD12761598,
ZINC90413540,
AKOS024464978,
AS-46383,
FT-0702223,
Z1118,
Benzenemethanol, 4-bromo-2-(trifluoromethyl)-,
Q-8963,
C8H6BrF3O,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number