| CAS Number | 120355-08-0 |
| Catalog Number | AG01FGZD(AGN-PC-000ZH3) |
| Chemical Name | 4-(Trifluoromethoxy)-3-(trifluoromethyl)phenol |
| IUPAC Name | 4-(trifluoromethoxy)-3-(trifluoromethyl)phenol |
| InChI | InChI=1S/C8H4F6O2/c9-7(10,11)5-3-4(15)1-2-6(5)16-8(12,13)14/h1-3,15H |
| InChI Key | HVMCLEZTIJICMU-UHFFFAOYSA-N |
| MDL Number | MFCD28348599 |
| Molecular Formula | C8H4F6O2 |
| Molecular Weight | 246.1066 |
| SMILES | OC1=CC=C(OC(F)(F)F)C(C(F)(F)F)=C1 |
| Synonyms | 4-(trifluoromethoxy)-3-(trifluoromethyl)phenol,
120355-08-0,
SCHEMBL10357217,
MFCD28348599,
ZINC34266303,
PC501341,
PS-11200,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.108g/mol |
| Monoisotopic Mass | 246.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number