| CAS Number | 886763-15-1 |
| Catalog Number | AG00GTG7 |
| Chemical Name | (2-bromo-5-(trifluoromethoxy)phenyl)methanol |
| IUPAC Name | [2-bromo-5-(trifluoromethoxy)phenyl]methanol |
| InChI | InChI=1S/C8H6BrF3O2/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-3,13H,4H2 |
| InChI Key | OALBWTKTAWWYBX-UHFFFAOYSA-N |
| MDL Number | MFCD07368723 |
| Molecular Formula | C8H6BrF3O2 |
| Molecular Weight | 271.0312 |
| SMILES | OCC1=C(Br)C=CC(OC(F)(F)F)=C1 |
| Synonyms | 2-bromo-5-(trifluoromethoxy)benzyl alcohol,
886763-15-1,
[2-bromo-5-(trifluoromethoxy)phenyl]methanol,
(2-Bromo-5-(trifluoromethoxy)phenyl)methanol,
AC1MD48Q,
SCHEMBL16952446,
CTK8A2591,
DTXSID60382571,
ZX-AP007351,
MFCD07368723,
PC1069,
ZINC16125780,
AKOS015995357,
FCH1322363,
4-Bromo-3-(hydroxymethyl) trifluoromethyl ether,
4-Bromo-3-(hydroxymethyl)-alpha,alpha,alpha-trifluoroanisole, [2-Bromo-5-(trifluoromethoxy)phenyl]methanol,
CID2783310,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.033g/mol |
| Monoisotopic Mass | 269.95g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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