| CAS Number | 908848-70-4 |
| Catalog Number | AG00IGBS(AGN-PC-0WRA6S) |
| Chemical Name | 2,4-Bis(trifluoromethyl)phenol |
| IUPAC Name | 2,4-bis(trifluoromethyl)phenol |
| InChI | InChI=1S/C8H4F6O/c9-7(10,11)4-1-2-6(15)5(3-4)8(12,13)14/h1-3,15H |
| InChI Key | ZYIRCUJWEIIPCK-UHFFFAOYSA-N |
| MDL Number | MFCD13185349 |
| Molecular Formula | C8H4F6O |
| Molecular Weight | 230.1072 |
| SMILES | Oc1ccc(cc1C(F)(F)F)C(F)(F)F |
| Synonyms | 2,4-BIS(TRIFLUOROMETHYL)PHENOL,
908848-70-4,
2,4-Ditrifluoromethylphenol,
2,4-Bis-trifluoromethyl-phenol,
SCHEMBL863774,
ZYIRCUJWEIIPCK-UHFFFAOYSA-N,
Phenol, 2,4-bis(trifluoromethyl)-,
MFCD13185349,
ZINC90413525,
AKOS032958255,
Z1066,
Q-8950,
C8H4F6O,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.109g/mol |
| Monoisotopic Mass | 230.017g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number