| CAS Number | 596812-34-9 |
| Catalog Number | AG00EEDO(AGN-PC-0ST5OH) |
| Chemical Name | (4-(tert-Butyl)phenyl)(4-fluorophenyl)methanol |
| IUPAC Name | (4-tert-butylphenyl)-(4-fluorophenyl)methanol |
| InChI | InChI=1S/C17H19FO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h4-11,16,19H,1-3H3 |
| InChI Key | UMNYQNAERUPNHP-UHFFFAOYSA-N |
| MDL Number | MFCD06201331 |
| Molecular Formula | C17H19FO |
| Molecular Weight | 258.3306 |
| SMILES | C(O)(C1=CC=C(C=C1)F)C1=CC=C(C=C1)C(C)(C)C |
| Synonyms | 4-tert-Butyl-4'-fluorobenzhydrol,
596812-34-9,
(4-tert-butylphenyl)(4-fluorophenyl)methanol,
(4-tert-butylphenyl)-(4-fluorophenyl)methanol,
AC1MBVIS,
CTK7B9883,
DTXSID50373817,
ZX-AP005347,
PC2496,
SBB102047,
[4-(tert-butyl)phenyl](4-fluorophenyl)methan-1-ol,
ZINC04242254,
CID2757288,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.336g/mol |
| Monoisotopic Mass | 258.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number