| CAS Number | 53903-59-6 |
| Catalog Number | AG00DIVM(AGN-PC-0WAOIM) |
| Chemical Name | 4-Methoxy-3-(trifluoromethyl)phenol |
| IUPAC Name | 4-methoxy-3-(trifluoromethyl)phenol |
| InChI | InChI=1S/C8H7F3O2/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4,12H,1H3 |
| InChI Key | SSPYTHVQEXWESL-UHFFFAOYSA-N |
| MDL Number | MFCD09832303 |
| Molecular Formula | C8H7F3O2 |
| Molecular Weight | 192.1352 |
| SMILES | COC1=C(C=C(C=C1)O)C(F)(F)F |
| Synonyms | 4-methoxy-3-(trifluoromethyl)phenol,
53903-59-6,
MFCD09832303,
SCHEMBL11142828,
CTK7A5799,
SBB091378,
ZINC38529717,
AKOS006329161,
JS-4594,
MB07755,
5-HYDROXY-3-METHOXYBENZOTRIFLUORIDE,
4-Methoxy-3-(trifluoroMethyl)phenol, 97%,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.137g/mol |
| Monoisotopic Mass | 192.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number