| CAS Number | 844683-65-4 |
| Catalog Number | AG01EXOS(AGN-PC-3H48CN) |
| Chemical Name | 3,3',4-Trifluorobenzhydrol |
| IUPAC Name | (3,4-difluorophenyl)-(3-fluorophenyl)methanol |
| InChI | InChI=1S/C13H9F3O/c14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h1-7,13,17H |
| InChI Key | BNJQWECBHNESTE-UHFFFAOYSA-N |
| MDL Number | MFCD06201321 |
| Molecular Formula | C13H9F3O |
| Molecular Weight | 238.2052 |
| SMILES | C1(=CC=C(C(F)=C1)F)C(O)C1=CC=CC(F)=C1 |
| Synonyms | 3,3',4-Trifluorobenzhydrol,
844683-65-4,
AC1MC3A5,
CTK7C1671,
DTXSID40375305,
AKOS010013797,
RT-019222,
(3,4-difluorophenyl)(3-fluorophenyl)methanol,
(3,4-difluorophenyl)-(3-fluorophenyl)methanol,
ZINC04290150,
CID2760702,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.209g/mol |
| Monoisotopic Mass | 238.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number