| CAS Number | 1243404-94-5 |
| Catalog Number | AG00HHNB |
| Chemical Name | 4-(Propan-2-yloxy)-2-(trifluoromethyl)phenol |
| IUPAC Name | 4-propan-2-yloxy-2-(trifluoromethyl)phenol |
| InChI | InChI=1S/C10H11F3O2/c1-6(2)15-7-3-4-9(14)8(5-7)10(11,12)13/h3-6,14H,1-2H3 |
| InChI Key | JUEDMDPOHOJEEU-UHFFFAOYSA-N |
| MDL Number | MFCD16997370 |
| Molecular Formula | C10H11F3O2 |
| Molecular Weight | 220.1883 |
| SMILES | CC(Oc1ccc(c(c1)C(F)(F)F)O)C |
| Synonyms | 4-(PROPAN-2-YLOXY)-2-(TRIFLUOROMETHYL)PHENOL,
1243404-94-5,
SCHEMBL3719192,
ZINC95710731,
MB23065,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.191g/mol |
| Monoisotopic Mass | 220.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number